SCHEMBL29168339

SCHEMBL29168339

CCOc1c2cccc(C(=O)O)c2nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
RAB9A P51151 2/20 0.41
KDM4A O75164 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HIF1AN Q9NWT6 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL31211291 0.87 PARP1 (0.44) KDM4EL3MBTL1ATM
SCHEMBL27537632 0.78 MYC (0.46) KDM4ERAB9AKDM4AEGLN1L3MBTL1
SCHEMBL27359877 0.73 KDM4E (0.38) KDM4ERAB9AKDM4AEGLN1L3MBTL1
SCHEMBL19918850 0.70 MAPT (0.44) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28442586 0.70 LMNA (0.50) KDM4EL3MBTL1LMNACYP2C9MEN1
SCHEMBL120218 0.70 ALDH1A1 (0.50) KDM4ERAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL25192537 0.70 ALDH1A1 (0.49) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1297983 0.68 KDM4E (0.54) KDM4EHPGD
SCHEMBL24553750 0.67 MEN1 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL23809440 0.67 POLB (0.36) L3MBTL1HPGDLMNAMAPTMEN1

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-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 CN disclosed