SCHEMBL29489993

SCHEMBL29489993

CC[C@@H]1CN=Cc2cc3nccc(C)c3cc2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL29490002 0.87 PDGFRB (0.36) —
SCHEMBL31697555 0.80 PDGFRB (0.35) SMN1; SMN2KDM4ENPC1ALDH1A1MAPT
SCHEMBL29490001 0.78 PDGFRB (0.35) SMN1; SMN2KDM4ENPC1ALDH1A1MAPT
SCHEMBL24650073 0.72 SMN1; SMN2 (0.31) SMN1; SMN2KDM4ENPC1HCRTR1USP2
Hydrochloric Acid SCHEMBL29442668 0.71 SSTR4 (0.30) SMN1; SMN2
SCHEMBL29489983 0.71 PDGFRB (0.34) SMN1; SMN2KDM4ENPC1ALDH1A1MAPT
SCHEMBL30236022 0.70 CYP2A6 (0.36) KDM4EALDH1A1
SCHEMBL20265949 0.69 THRB (0.34) KDM4EALDH1A1MAPTTSHR
SCHEMBL30236426 0.69 CYP2A6 (0.33) KDM4EALDH1A1
SCHEMBL2010551 0.68 HIF1A (0.43) SMN1; SMN2KDM4ENPC1HCRTR1USP2

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
EP-3978073-A1 BENZOTRIAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2022-04-06 — — EP disclosed
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