SCHEMBL6879289

SCHEMBL6879289

COc1ccc(NC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.43
RAB9A P51151 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 2/20 0.42
MCHR1 Q99705 2/20 0.42
NPC1 O15118 4/20 0.42
MAPK1 P28482 3/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6879286 1.00 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRECQLRAB9A
SCHEMBL6878890 0.91 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRECQLRAB9A
SCHEMBL6878899 0.91 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRECQLRAB9A
SCHEMBL6875065 0.90 MCHR1 (0.42) ALDH1A1MAPTKMT2ALMNAADRA2A
SCHEMBL6875058 0.90 MCHR1 (0.42) ALDH1A1MAPTKMT2ALMNAADRA2A
SCHEMBL6867788 0.89 MCHR1 (0.42) ALDH1A1MAPTRAB9AKMT2AADRA2A
SCHEMBL6867783 0.89 MCHR1 (0.42) ALDH1A1MAPTRAB9AKMT2AADRA2A
SCHEMBL6876990 0.89 MCHR1 (0.42) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL6876996 0.89 MCHR1 (0.42) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL6461399 0.88 MCHR1 (0.45) ALDH1A1MAPTRAB9ALMNAADRA2A

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed