SCHEMBL28282916

SCHEMBL28282916

CCC(NC1C=CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A9 P48067 1/20 0.36
RIPK1 Q13546 1/20 0.36
EPHX2 P34913 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
KCNA5 P22460 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 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
SCHEMBL2847032 0.72 LMNA (0.52) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL8916220 0.72 TDP1 (0.46) NPC1TDP1LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10447048 0.71 GRM7 (0.45) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL28183538 0.71 LMNA (0.38) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL2227742 0.70 NPC1 (0.40) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL3359244 0.70 POLB (0.40) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL10287179 0.69 LMNA (0.48) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL19286308 0.69 LMNA (0.48) NPC1TDP1LMNAKDM4EALDH1A1
SCHEMBL8248592 0.69 ALDH1A1 (0.52) NPC1LMNAKDM4EALDH1A1HPGD
SCHEMBL13075266 0.69 ALDH1A1 (0.52) NPC1LMNAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167977-A Conjugated diene polymer, conjugated diene polymer composition and tire 日本弹性体株式会社 2019-08-23 CN disclosed
CN-109384982-A Modified conjugated diene polymer composition and tire 旭化成株式会社 2019-02-26 CN disclosed