SCHEMBL8993204

SCHEMBL8993204

CCOC(=O)c1cnc2c(-c3ccc(Cc4ccc5c(c4)OCO5)cc3)cnn2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 5/20 0.49
TP53 P04637 3/20 0.49
STAT1 P42224 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PPP1CA P62136 2/20 0.47
USP2 O75604 2/20 0.47

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
SCHEMBL8992794 0.87 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8992993 0.84 NPC1 (0.68) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8992991 0.84 NPC1 (0.57) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8993226 0.81 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8992809 0.76 HSP90AB1 (0.41) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8993100 0.75 NPC1 (0.53) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL11779261 0.74 NPC1 (0.66) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL9168201 0.74 NPC1 (0.67) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8992938 0.73 NPC1 (0.66) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8993255 0.73 NPC1 (0.50) SMN1; SMN2NPC1RAB9ALMNAPOLB

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