SCHEMBL10035937

SCHEMBL10035937

CN1CC=C(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
RAB9A P51151 1/20 0.41
CCR6 P51684 1/20 0.41
GFER P55789 1/20 0.41
WNT3A P56704 1/20 0.40
MEN1 O00255 2/20 0.40
QDPR P09417 1/20 0.40

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
SCHEMBL15513239 0.81 NAMPT (0.43) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL15513241 0.81 NAMPT (0.43) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL14810722 0.80 QDPR (0.58) SLC6A4LMNARAB9AQDPR
SCHEMBL15502395 0.79 MAPT (0.39) SLC6A4MAPTALDH1A1LMNAALOX12
SCHEMBL13490629 0.78 CCR1 (0.48) SLC6A4WNT3AQDPR
SCHEMBL595687 0.77 GRM1 (0.52) MAPTALDH1A1LMNAWNT3A
SCHEMBL29977228 0.77 GRM1 (0.52) MAPTALDH1A1LMNAWNT3A
SCHEMBL13490635 0.76 QDPR (0.45) WNT3AQDPR
SCHEMBL21038282 0.76 SLC6A4 (0.46) SLC6A4WNT3AQDPR
SCHEMBL20160629 0.76 SLC6A4 (0.46) SLC6A4WNT3AQDPR

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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed