SCHEMBL8993213

SCHEMBL8993213

Oc1ncnc2c(-c3ccc(Cc4ccc(Cl)cc4)cc3)cnn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
GPR119 Q8TDV5 7/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL9219561 0.92 RAB9A (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8993403 0.88 RAB9A (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8992955 0.88 NPC1 (0.43) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8992965 0.87 GPR119 (0.41) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8992990 0.84 KMT2A (0.48) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL9215696 0.82 RAB9A (0.42) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8992922 0.81 GPR119 (0.43) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL8993148 0.81 KMT2A (0.41) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8993290 0.80 GPR119 (0.41) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL9215756 0.80 SRC (0.45) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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