SCHEMBL6667516

SCHEMBL6667516

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2csc(N)n2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.40
HTR2A P28223 8/20 0.40
HTR2C P28335 8/20 0.40
HTR2B P41595 8/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EIF2AK3 Q9NZJ5 3/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL6669113 0.90 LMNA (0.41) TP53LMNAMAPTHTR2AHTR2C
SCHEMBL6667216 0.89 RIPK1 (0.44) TP53LMNAMAPTHTR2AHTR2C
SCHEMBL6670249 0.87 MAPT (0.42) TP53LMNAMAPTNPC1RAB9A
SCHEMBL6804642 0.84 MTTP (0.47) TP53LMNAMAPTALDH1A1
SCHEMBL6664419 0.84 HTR2A (0.41) TP53LMNAMAPTHTR2AHTR2C
SCHEMBL6802265 0.84 RIPK1 (0.42) TP53LMNAMAPTNPC1RAB9A
SCHEMBL6664644 0.83 AVPR2 (0.44) TP53LMNAMAPTNPC1RAB9A
SCHEMBL6803455 0.83 MAPT (0.44) TP53LMNAMAPTNPC1RAB9A
SCHEMBL6806284 0.83 RIPK1 (0.43) TP53LMNAMAPTNPC1RAB9A
SCHEMBL6666805 0.82 CASP3 (0.43) TP53LMNAMAPTHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed