SCHEMBL8992938

SCHEMBL8992938

CCOC(=O)c1cnc2c(-c3ccc(C(C)(C)c4ccccc4)cc3)cnn2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ NFKB1 P19838 2/20 0.66
▸ NFKB2 Q00653 2/20 0.66
▸ RELA Q04206 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ ALDH1A1 P00352 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ STAT1 P42224 1/20 0.63
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.56
▸ GPR119 Q8TDV5 12/20 0.51
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL8992774 0.86 RAB9A (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8992993 0.86 NPC1 (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9168201 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11779261 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9167692 0.78 NPC1 (0.63) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9167684 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8992991 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9168212 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9165321 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9165306 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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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