SCHEMBL6988003

SCHEMBL6988003

N#Cc1cc2ccccc2n1-c1ccc(NCc2c(F)cccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
MPI P34949 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 4/20 0.41
GAA P10253 4/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
LCK P06239 4/20 0.38
BTK Q06187 4/20 0.38
MAPK14 Q16539 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6988191 0.88 MAPT (0.41) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL6987190 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL6701678 0.74 RXFP1 (0.72) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL6985367 0.71 CYP19A1 (0.39) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16679725 0.71 RXFP1 (0.64) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL8291599 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL7242287 0.69 MAPT (0.45) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL6992299 0.69 CACNA1B (0.42) ALDH1A1KDM4EMAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL2730055 0.68 LOXL2 (0.39) ALDH1A1TSHR
SCHEMBL6696450 0.68 RXFP1 (0.60) ALDH1A1KDM4EMAPTL3MBTL1MEN1

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