SCHEMBL21394559

SCHEMBL21394559

CN1N=C(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT3A P56704 4/20 0.39
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AHR P35869 1/20 0.37
PARP1 P09874 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR3C2 P08235 1/20 0.37
SNCA P37840 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
FSCN1 Q16658 1/20 0.36

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
SCHEMBL29358581 1.00 RAB9A (0.44) RAB9ANPC1ALDH1A1PKMTSHR
SCHEMBL21395043 0.91 RAB9A (0.47) RAB9AALDH1A1MAPTKDM4EAHR
SCHEMBL29355445 0.91 RAB9A (0.47) RAB9AALDH1A1MAPTKDM4EAHR
SCHEMBL22479693 0.89 RAB9A (0.45) RAB9ASMN1; SMN2MAPTKDM4EPARP1
SCHEMBL29353935 0.89 RAB9A (0.46) RAB9AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL21394770 0.89 RAB9A (0.46) RAB9AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL21394664 0.89 RAB9A (0.44) RAB9AALDH1A1MAPTAHRPARP1
SCHEMBL21395053 0.89 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL21394773 0.89 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29354631 0.89 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed