SCHEMBL6887430

SCHEMBL6887430

CCc1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(CCc2ccccc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.67
SIGMAR1 Q99720 1/20 0.45
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6467813 0.80 AR (1.00) ARSMN1; SMN2MAPTKCNJ1KCNH2
SCHEMBL6469421 0.77 AR (1.00) ARMAPTALDH1A1
SCHEMBL6469563 0.75 AR (0.75) AR
SCHEMBL6889331 0.74 AR (0.67) ARHPGDSMN1; SMN2RAB9AALDH1A1
SCHEMBL6889043 0.74 AR (0.59) ARKCNJ1KCNH2
SCHEMBL29411968 0.71 ALDH1A1 (0.64) ARHPGDL3MBTL1RAB9AALDH1A1
SCHEMBL28484825 0.71 ALDH1A1 (0.64) ARHPGDL3MBTL1RAB9AALDH1A1
SCHEMBL6469722 0.70 AR (1.00) ARSMN1; SMN2MAPT
SCHEMBL29829604 0.70 ALDH1A1 (0.50) ARSIGMAR1HPGDL3MBTL1RAB9A
SCHEMBL27583120 0.69 ALDH1A1 (0.65) SIGMAR1HPGDL3MBTL1SMN1; SMN2MAPT

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