SCHEMBL8992904

SCHEMBL8992904

Cc1cccc(Cc2ccc(-c3cnn4c(O)ncnc34)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.39
FYN P06241 3/20 0.36
KDR P35968 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 3/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
KDM1A O60341 1/20 0.35
ENPP1 P22413 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL8993124 0.90 GPR119 (0.37) GPR119ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL8993183 0.88 FYN (0.40) GPR119FYNKDRALDH1A1HPGD
SCHEMBL8992922 0.87 GPR119 (0.43) GPR119FYNKDRALDH1A1HPGD
SCHEMBL9221055 0.82 RAB9A (0.38) GPR119KDRALDH1A1HPGDPOLB
SCHEMBL9221803 0.82 ALDH1A1 (0.44) KDRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL8993105 0.81 BRS3 (0.45) GPR119FYNKDRALDH1A1HPGD
SCHEMBL8993290 0.80 GPR119 (0.41) GPR119ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL8993100 0.78 NPC1 (0.53) GPR119KDRALDH1A1HPGDPOLB
SCHEMBL9220600 0.78 RAB9A (0.38) KDRALDH1A1HPGDMAPK1POLB
SCHEMBL8992845 0.78 FYN (0.40) FYNKDRALDH1A1ENPP1CYP1A2

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