SCHEMBL6987190

SCHEMBL6987190

CCc1cc2ccccc2n1-c1ccc(NCc2c(F)cccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
MPI P34949 1/20 0.54
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 4/20 0.43
GAA P10253 3/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
LCK P06239 2/20 0.39
BTK Q06187 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 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
SCHEMBL6985367 0.88 CYP19A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6988003 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6987188 0.77 HTT (0.36) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6701678 0.75 RXFP1 (0.72) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7704575 0.75 CYP19A1 (0.43) MAPTMAPK1LMNATP53CYP19A1
SCHEMBL16679725 0.72 RXFP1 (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6988191 0.72 MAPT (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6696450 0.70 RXFP1 (0.60) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7241965 0.70 EPHX2 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1878657 0.69 CYP19A1 (0.55) ALDH1A1KDM4EL3MBTL1MAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed