SCHEMBL6814152

SCHEMBL6814152

Cc1cc(Cc2ccc(F)cc2)c(=O)n2cc(C(=O)O)sc12.NCc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TRPA1 O75762 2/20 0.36
MAPK14 Q16539 2/20 0.35
FPR1 P21462 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
GRM2 Q14416 2/20 0.34
FPR2 P25090 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KLK1 P06870 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL6814146 0.90 FPR1 (0.38) MEN1KMT2ALMNATRPA1MAPK14
SCHEMBL6484094 0.89 LMNA (0.42) MEN1KMT2ALMNATRPA1FPR1
SCHEMBL6814150 0.83 TRPA1 (0.51) TRPA1MAPK14
SCHEMBL6484773 0.74 MEN1 (0.41) MEN1KMT2ALMNAFPR1FPR2
Hydrochloric Acid SCHEMBL7021998 0.69 TRPA1 (0.41) MEN1KMT2ATRPA1KDM4E
SCHEMBL6488185 0.68 TRPA1 (0.53) LMNATRPA1RXFP1
SCHEMBL6485436 0.67 CNR2 (0.40) MEN1KMT2ALMNAMAPK14FPR1
SCHEMBL6476120 0.67 TRPA1 (0.54) LMNATRPA1RXFP1
SCHEMBL6818733 0.66 ROCK2 (0.46) MEN1KMT2AKDM4ERXFP1
SCHEMBL6486582 0.65 MAPT (0.46) MEN1KMT2ALMNATRPA1KLK1

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-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed