SCHEMBL6536407

SCHEMBL6536407

O=Cc1c(-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 3/20 0.39
NFKB1 P19838 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 3/20 0.38
CES1 P23141 1/20 0.38
FABP4 P15090 1/20 0.37
MAOB P27338 1/20 0.36
ENPP1 P22413 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PDK2 Q15119 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
SCHEMBL28336820 0.81 NFKB1 (0.45) MEN1KMT2ANFKB1CES1MAOB
SCHEMBL989191 0.80 NFKB1 (0.44) MEN1KMT2ANFKB1ALDH1A1HPGD
SCHEMBL954787 0.80 MEN1 (0.53) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL28204257 0.79 MEN1 (0.38) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL6535912 0.79 MEN1 (0.38) HSD11B1MEN1RAB9AKMT2AAR
SCHEMBL28321711 0.79 MEN1 (0.47) HSD11B1MEN1KMT2AARNFKB1
SCHEMBL2597833 0.77 HSD11B1 (0.51) HSD11B1ARFFAR4ALDH1A1HPGD
SCHEMBL163729 0.76 HSD11B1 (0.55) HSD11B1ARFFAR4ALDH1A1HPGD
SCHEMBL9754447 0.76 KMT2A (0.42) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL6535972 0.75 FFAR4 (0.43) MEN1RAB9AKMT2AFFAR4ALDH1A1

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-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed