SCHEMBL6889348

SCHEMBL6889348

Cc1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(F)cc2)c1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.51
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
RIPK3 Q9Y572 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL6889022 0.79 AR (0.68) ARCYP11B1CYP11B2HSD17B10CYP19A1
SCHEMBL6466727 0.79 AR (0.60) ARCYP11B1CYP11B2RIPK3ALDH1A1
SCHEMBL6468119 0.78 AR (0.49) ARCYP11B1CYP11B2RIPK3ALDH1A1
SCHEMBL6464447 0.76 AR (0.53) ARCYP11B1CYP11B2RIPK3ALDH1A1
SCHEMBL6468889 0.74 AR (0.86) ARCYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL6469486 0.74 AR (0.56) ARCYP11B1CYP11B2CYP19A1
SCHEMBL6466721 0.73 AR (0.80) ARCYP11B1CYP11B2RIPK3ALDH1A1
SCHEMBL6466939 0.72 AR (0.67) ARMAPTLMNA
SCHEMBL3070156 0.72 SLC2A1 (0.53) ARCYP11B1CYP11B2RIPK3ALDH1A1
SCHEMBL6466315 0.71 AR (0.59) ARCYP11B1CYP11B2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed