SCHEMBL6185751

SCHEMBL6185751

Cc1[nH]c2ccc(N)cc2c1C(=O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
RORB Q92753 1/20 0.40
RORC P51449 4/20 0.38
KIF11 P52732 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35
NGFR P08138 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK11A Q9UQ88 1/20 0.34
PARP1 P09874 2/20 0.34
FGFR1 P11362 1/20 0.33

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
SCHEMBL6188992 0.89 ALDH1A1 (0.41) ARALDH1A1MAPTALOX15NGFR
SCHEMBL6188924 0.84 LMNA (0.39) RORBSMN1; SMN2ALDH1A1MAPTALOX15
SCHEMBL6187137 0.83 ALDH1A1 (0.45) KIF11ALDH1A1MAPTGAAPARP1
SCHEMBL6188757 0.79 RORC (0.42) RORCMAPTKDR
SCHEMBL6191071 0.77 TUBB1 (0.44) ALDH1A1MAPTGAAPTGS1PTGS2
SCHEMBL6187138 0.77 MAOA (0.45) RORCSMN1; SMN2ALDH1A1
SCHEMBL6188444 0.77 MAOA (0.43) RORC
SCHEMBL6185980 0.77 LMNA (0.41) SMN1; SMN2ALDH1A1MAPTALOX15NGFR
SCHEMBL6186131 0.77 MAOA (0.47) RORCALDH1A1
SCHEMBL6187011 0.74 PARP1 (0.42) ARRORCMAPTPARP1

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-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 WO disclosed