SCHEMBL1532459

SCHEMBL1532459

CCc1nccnc1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
AURKA O14965 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
FYN P06241 1/20 0.34
RET P07949 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30296925 1.00 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL31008793 0.83 TSHR (0.38) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL3461163 0.83 TSHR (0.38) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL30575331 0.83 KDM4E (0.41) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL13806634 0.83 KDM4E (0.41) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL28249377 0.82 POLB (0.32) SMN1; SMN2ABL1
SCHEMBL27864943 0.81 SMN1; SMN2 (0.36) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL22043212 0.80 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL24135848 0.79 KMT2A (0.35) ALDH1A1NPC1RAB9ATP53PKM
SCHEMBL22202360 0.79 KDM4E (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2GABRP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 327 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852032-A Alpha, beta-unsaturated ketone derivative, preparation method and application thereof 赣南医科大学 2024-10-29 CN claimed
CN-118684630-A Pyrazine polymer derivative and preparation method and application thereof 赣南医科大学 2024-09-24 CN claimed
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
CN-118234414-A Nut butter imitation produced from separate components 航行食品股份有限公司 2024-06-21 CN claimed
EP-4362756-A1 NUT BUTTER REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2024-05-08 EP claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
US-20230041133-A1 NUT BUTTER REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. 2023-02-09 US claimed
WO-2023278756-A1 NUT BUTTER REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2023-01-05 WO claimed
US-4156029-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-22 US claimed
US-4097615-A ORGANOLEPTIC, AROMA AND TASTE ENHANCING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-27 US claimed
US-4064279-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064278-A FRUIT AND VEGETABLE FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064280-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4055691-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-25 US claimed
US-4053655-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4053654-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4044164-A BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-23 US claimed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US claimed