SCHEMBL8993226

SCHEMBL8993226

CCOC(=O)c1cnc2c(-c3ccc(Cc4cccc(OC)c4)cc3)cnn2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GAA P10253 2/20 0.49
▸ HCAR2 Q8TDS4 3/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ BRS3 P32247 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.41

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
SCHEMBL8992991 0.90 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8993255 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8992780 0.89 BRS3 (0.54) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8992993 0.89 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8993204 0.81 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8993019 0.80 BRS3 (0.47) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8993100 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL11779261 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8993229 0.78 BRS3 (0.52) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8992950 0.78 LTA4H (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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
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