SCHEMBL8993157

SCHEMBL8993157

COc1cccc(C(C)c2ccc(CC#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.48
TAAR1 Q96RJ0 2/20 0.42
AOC3 Q16853 3/20 0.40
PBRM1 Q86U86 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8993170 0.81 CASR (0.51) CASRTAAR1AOC3L3MBTL1KMT2A
SCHEMBL8993113 0.81 CASR (0.51) CASRTAAR1AOC3L3MBTL1KMT2A
SCHEMBL8992978 0.80 MAOB (0.42) TAAR1PBRM1L3MBTL1KMT2AMEN1
SCHEMBL10290007 0.79 CASR (0.53) CASRTAAR1AOC3L3MBTL1
SCHEMBL20039982 0.79 ESR1 (0.41) L3MBTL1KMT2AMEN1PKM
SCHEMBL10707052 0.78 CASR (0.57) CASRTAAR1AOC3L3MBTL1
SCHEMBL101334 0.76 TAAR1 (0.55) TAAR1AOC3
SCHEMBL8596617 0.76 SMN1; SMN2 (0.56) HTTPKM
SCHEMBL8992947 0.76 LTA4H (0.49) TAAR1AOC3
SCHEMBL23621916 0.75 CASR (0.52) CASRTAAR1KMT2AMEN1

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
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed