SCHEMBL8993183

SCHEMBL8993183

COc1cc(-c2cnn3c(O)ncnc23)ccc1Cc1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.40
MAPT P10636 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 3/20 0.36
CYP2C19 P33261 3/20 0.36
LMNA P02545 3/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8992845 0.90 FYN (0.40) FYNMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8992897 0.90 FYN (0.41) FYNMAPTGPR119PDCD1CD274
SCHEMBL8993240 0.89 MAPT (0.41) FYNMAPTGPR119PDCD1CD274
SCHEMBL8992904 0.88 GPR119 (0.39) FYNGPR119CYP1A2CYP3A4CYP2D6
SCHEMBL8992894 0.86 MAPT (0.40) FYNMAPTGPR119PDCD1CD274
SCHEMBL8993293 0.85 KMT2A (0.40) FYNMAPTLMNAMAPK1MEN1
SCHEMBL8993192 0.85 FYN (0.41) FYNMAPTPDCD1CD274CYP1A2
SCHEMBL8992922 0.84 GPR119 (0.43) FYNGPR119CYP1A2CYP3A4CYP2C19
SCHEMBL8993032 0.83 DHFR (0.40) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8992831 0.80 LTA4H (0.42) FYNMAPTGPR119CYP1A2CYP3A4

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