SCHEMBL8992963

SCHEMBL8992963

Cc1cccc(Cc2ccc(CC#N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ENPP2 Q13822 1/20 0.42
IDO1 P14902 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
DAO P14920 1/20 0.41
MMP3 P08254 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.38
SLC5A2 P31639 1/20 0.38
POLB P06746 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
SCHEMBL625612 0.87 ENPP2 (0.53) KDM4ETAAR1ENPP2IDO1TDP1
SCHEMBL8093804 0.84 TAAR1 (0.56) LTA4HTAAR1IDO1SAE1UBA2
SCHEMBL8992798 0.82 ENPP2 (0.41) LTA4HKDM4ETAAR1ENPP2IDO1
SCHEMBL20257530 0.82 LOXL2 (0.48) LTA4HKDM4ETAAR1IDO1SAE1
SCHEMBL8085716 0.81 CALM1 (0.55) LTA4HTAAR1IDO1SAE1UBA2
SCHEMBL8993250 0.81 SRD5A2 (0.41) LTA4HKDM4ETAAR1IDO1TDP1
SCHEMBL11087087 0.81 LTA4H (0.53) LTA4HTAAR1IDO1TDP1SAE1
SCHEMBL29459538 0.80 TAAR1 (0.60) LTA4HTAAR1IDO1DAOACHE
SCHEMBL1263547 0.80 TAAR1 (0.60) LTA4HTAAR1IDO1DAOACHE
SCHEMBL30000562 0.80 TAAR1 (0.60) LTA4HTAAR1IDO1DAOACHE

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