SCHEMBL8992894

SCHEMBL8992894

COc1cc(-c2cnn3c(O)ncnc23)ccc1Cc1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
FYN P06241 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GPR119 Q8TDV5 1/20 0.37
KIT P10721 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GAK O14976 1/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
KDR P35968 1/20 0.36
ETV6 P41212 1/20 0.36
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
STAT1 P42224 1/20 0.34

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
SCHEMBL8993192 0.93 FYN (0.41) MAPTFYNNPC1RAB9ASMN1; SMN2
SCHEMBL8992897 0.90 FYN (0.41) MAPTFYNNPC1RAB9ASMN1; SMN2
SCHEMBL8993240 0.87 MAPT (0.41) MAPTFYNNPC1RAB9ASMN1; SMN2
SCHEMBL8993183 0.86 FYN (0.40) MAPTFYNNPC1RAB9ASMN1; SMN2
SCHEMBL8993293 0.85 KMT2A (0.40) MAPTFYNNPC1RAB9ASMN1; SMN2
SCHEMBL8992845 0.84 FYN (0.40) MAPTFYNMEN1KMT2AKIT
SCHEMBL8992831 0.83 LTA4H (0.42) MAPTFYNNPC1RAB9ASMN1; SMN2
SCHEMBL8993290 0.83 GPR119 (0.41) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8993124 0.82 GPR119 (0.37) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9218703 0.81 MAPT (0.48) MAPTFYNNPC1RAB9ASMN1; 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