SCHEMBL11050558

SCHEMBL11050558

C=Cc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP19A1 P11511 1/20 0.40
SOS1 Q07889 1/20 0.39
TNIK Q9UKE5 1/20 0.38
POLB P06746 2/20 0.38
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL11044543 0.84 ALDH1A1 (0.53) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL21199185 0.81 SOS1 (0.58) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL2979131 0.81 TAAR1 (0.59) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL29277952 0.75 ALDH1A1 (0.51) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL18961342 0.74 ALDH1A1 (0.56) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL31478600 0.72 ALDH1A1 (0.54) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL16896797 0.72 L3MBTL1 (0.54) ALDH1A1PKML3MBTL1LMNAMAPT
SCHEMBL27343291 0.72 L3MBTL1 (0.50) ALDH1A1PKML3MBTL1MAPTHTT
SCHEMBL18961309 0.71 ALDH1A1 (0.53) ALDH1A1PKML3MBTL1NPC1LMNA
SCHEMBL14696607 0.71 L3MBTL1 (0.53) ALDH1A1PKML3MBTL1LMNAMAPT

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-4430445-A POLYAMIDINE HOHO- AND COPOLYMERS; OXIDATION RESISTANCE; METAL EXTRACTION; POLYEPOXIDE CURING AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-02-07 US disclosed