SCHEMBL8992990

SCHEMBL8992990

COc1ccc(Cc2ccc(-c3cnn4c(O)ncnc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDR P35968 6/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BMP4 P12644 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDE1B Q01064 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL9217924 0.92 KMT2A (0.54) KMT2ANPC1RAB9AKDRMAPT
SCHEMBL8993148 0.92 KMT2A (0.41) KMT2ANPC1RAB9AKDRMAPT
SCHEMBL8992950 0.89 LTA4H (0.43) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL8993293 0.87 KMT2A (0.40) KMT2ANPC1RAB9AKDRMAPT
SCHEMBL8992965 0.86 GPR119 (0.41) KMT2ANPC1RAB9AKDRMAPT
SCHEMBL8992955 0.85 NPC1 (0.43) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL8993213 0.84 RAB9A (0.46) KMT2ANPC1RAB9AKDRMAPT
SCHEMBL8992831 0.83 LTA4H (0.42) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL9215696 0.82 RAB9A (0.42) KMT2ANPC1RAB9AKDRMAPT
SCHEMBL8992922 0.80 GPR119 (0.43) KMT2ANPC1RAB9AKDRMEN1

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