SCHEMBL9628111

SCHEMBL9628111

O=CN(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.46
MAOB P27338 2/20 0.45
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
ERN1 O75460 1/20 0.40
ADORA2A P29274 1/20 0.39
CTSB P07858 1/20 0.39
GPR35 Q9HC97 1/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL9626552 0.82 ACHE (0.44) CYP19A1MAOBMAPTMEN1KMT2A
SCHEMBL9525132 0.76 CYP19A1 (0.51) CYP19A1MAOBITGA4ITGB7MAPT
SCHEMBL9629885 0.76 PDK1 (0.34) MAOBMAPTMEN1KMT2AACHE
SCHEMBL9626473 0.76 MEN1 (0.36) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL9627102 0.74 CYP19A1 (0.50) CYP19A1MEN1KMT2ANPC1RAB9A
SCHEMBL3017594 0.72 MEN1 (0.65) CYP19A1MAOBITGA4ITGB7MAPT
SCHEMBL9626541 0.72 ITGA4 (0.47) CYP19A1MAOBITGA4ITGB7MAPT
SCHEMBL5733771 0.71 MEN1 (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27587741 0.71 CYP19A1 (0.51) CYP19A1MAOBITGA4ITGB7MAPT
SCHEMBL5736112 0.71 HSP90AA1 (0.36) MAPTMEN1KMT2ANPC1RAB9A

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-5145483-A Hair dyes L'OREAL (FR) 1992-09-08 US disclosed