SCHEMBL6875838

SCHEMBL6875838

Cc1c(NC(=O)N[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
MCHR1 Q99705 6/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 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
SCHEMBL6875847 1.00 KMT2A (0.60) KMT2ALMNASMN1; SMN2GAAMEN1
SCHEMBL6873913 0.92 KMT2A (0.48) KMT2ASMN1; SMN2GAAMEN1MAPT
SCHEMBL6873906 0.92 KMT2A (0.48) KMT2ASMN1; SMN2GAAMEN1MAPT
SCHEMBL6465993 0.89 KMT2A (0.46) KMT2ALMNASMN1; SMN2GAAMEN1
SCHEMBL6465997 0.89 KMT2A (0.46) KMT2ALMNASMN1; SMN2GAAMEN1
SCHEMBL6874169 0.87 MCHR1 (0.45) KMT2ALMNASMN1; SMN2GAAMAPT
SCHEMBL6874165 0.87 MCHR1 (0.45) KMT2ALMNASMN1; SMN2GAAMAPT
SCHEMBL6876089 0.85 TSHR (0.57) KMT2ASMN1; SMN2MAPTMCHR1POLB
SCHEMBL6876093 0.85 TSHR (0.57) KMT2ASMN1; SMN2MAPTMCHR1POLB
SCHEMBL6872847 0.83 EPHX2 (0.47) KMT2ASMN1; SMN2MEN1MCHR1MAPK14

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