SCHEMBL8992976

SCHEMBL8992976

Cc1cccc(Cc2ccc(C(C#N)C=O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LTA4H P09960 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CTSB P07858 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
BTK Q06187 3/20 0.34
IDO1 P14902 2/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL8993063 0.84 CALM1 (0.41) LTA4H
SCHEMBL2554823 0.79 ALDH1A1 (0.43) CTSBCTSLCTSSTAAR1
SCHEMBL2553737 0.75 ALDH1A1 (0.40) KDM4E
SCHEMBL8093804 0.74 TAAR1 (0.56) DAOLTA4HMAOBSAE1UBA2
SCHEMBL15330263 0.74 CYP2A6 (0.44) KDM4ETAAR1
SCHEMBL17521457 0.74 MAOA (0.54) DAOLTA4HMAOAMAOBSAE1
SCHEMBL8992963 0.72 LTA4H (0.46) DAOKDM4ELTA4HSAE1UBA2
SCHEMBL20257530 0.72 LOXL2 (0.48) KDM4ELTA4HSAE1UBA2TAAR1
SCHEMBL9413533 0.71 LTA4H (0.44) DAOLTA4HSAE1UBA2TAAR1
SCHEMBL11087087 0.71 LTA4H (0.53) DAOLTA4HMAOBSAE1UBA2

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