SCHEMBL31092004

SCHEMBL31092004

O=C(O)c1ccccc1-c1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MYC P01106 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HNF4A P41235 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL11471190 1.00 RAB9A (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1ALOX15
SCHEMBL28014589 0.89 BRS3 (0.44) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL11509759 0.88 BCAT2 (0.35) RAB9ASMN1; SMN2NPC1ALDH1A1ALOX15
SCHEMBL15412720 0.85 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1ALOX15
SCHEMBL10811664 0.85 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTCYP2C9POLB
SCHEMBL29395860 0.85 BCAT2 (0.53) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL10664169 0.85 KDM4C (0.47) SMN1; SMN2NPC1ALDH1A1KDM4ELMNA
SCHEMBL11357674 0.85 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1ALOX15
SCHEMBL27274151 0.85 BCAT2 (0.53) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL29628297 0.84 TSHR (0.46) RAB9ASMN1; SMN2ALDH1A1ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed