SCHEMBL9687994

SCHEMBL9687994

CC(Cn1ccnc1)c1noc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.44
CYP19A1 P11511 8/20 0.42
CYP11B1 P15538 7/20 0.42
CYP11B2 P19099 7/20 0.42
TBXAS1 P24557 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
CYP17A1 P05093 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9689763 0.77 CYP17A1 (0.48) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL10464807 0.74 CYP17A1 (0.51) CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL20229553 0.74 FAAH (0.43) NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL21976909 0.74 FAAH (0.43) NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL9688353 0.73 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL11079263 0.72 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2TBXAS1CYP3A4
SCHEMBL9687706 0.72 CYP17A1 (0.53) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL20003881 0.71 GRM4 (0.49) NPC1RAB9ASMN1; SMN2CYP3A4
Pyrazine SCHEMBL28254063 0.70 HIF1A (0.41) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL85415 0.69 CA12 (0.41) SMN1; SMN2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298921-B1 1,2-BENZISOXAZOLES AND 1,2-BENZISOTHIAZOLES CIBA-GEIGY AG (CH) 1992-12-23 EP disclosed
EP-0298921-A1 1,2-Benzisoxazoles and 1,2-benzisothiazoles CIBA-GEIGY AG (CH) 1989-01-11 EP disclosed