SCHEMBL9680836

SCHEMBL9680836

Nc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.78
MAOA P21397 2/20 0.78
MAOB P27338 2/20 0.78
APP P05067 2/20 0.74
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
NQO2 P16083 2/20 0.56
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL7646748 1.00 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL65443 1.00 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL9680840 1.00 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL10459178 1.00 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL11244660 1.00 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL65444 1.00 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL11260707 0.97 CYP19A1 (0.74) CYP19A1MAOAMAOBAPPMEN1
SCHEMBL11260705 0.97 CYP19A1 (0.74) CYP19A1MAOAMAOBAPPMEN1
Hydrochloric Acid SCHEMBL866621 0.97 CYP19A1 (0.74) CYP19A1MAOAMAOBAPPMEN1
Hydrochloric Acid SCHEMBL866622 0.97 CYP19A1 (0.74) CYP19A1MAOAMAOBAPPMEN1

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
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed