SCHEMBL9688353

SCHEMBL9688353

c1ccc2c(Cn3ccnc3)noc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.52
CYP11B1 P15538 12/20 0.52
CYP11B2 P19099 12/20 0.52
POLB P06746 3/20 0.50
CYP17A1 P05093 3/20 0.50
TBXAS1 P24557 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
QPCT Q16769 1/20 0.50
CYP4Z1 Q86W10 1/20 0.50
QPCTL Q9NXS2 1/20 0.50
LMNA P02545 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 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
Hydrochloric Acid SCHEMBL9689549 0.82 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2POLBCYP17A1
Hydrochloric Acid SCHEMBL9689248 0.82 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2POLBCYP17A1
SCHEMBL9688792 0.80 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2POLBTBXAS1
Hydrochloric Acid SCHEMBL9689124 0.79 CYP11B1 (0.55) CYP19A1CYP11B1CYP11B2POLBTBXAS1
Hydrochloric Acid SCHEMBL9688615 0.79 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9688636 0.79 MAPT (0.49) CYP19A1CYP11B1CYP11B2POLBTBXAS1
Hydrochloric Acid SCHEMBL9688409 0.79 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
Hydrochloric Acid SCHEMBL9688609 0.78 POLB (0.53) CYP19A1CYP11B1CYP11B2POLBCYP17A1
Hydrochloric Acid SCHEMBL9688740 0.75 KDM4E (0.54) CYP19A1CYP11B1CYP11B2TBXAS1MEN1
SCHEMBL9687994 0.73 AGER (0.44) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1

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 4 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
US-4957931-A ANTICONVULSANTS, TREATMENT OF EPILEPSY CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
US-4859691-A Certain 1,2-benzisoxazole derivatives CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed
EP-0298921-A1 1,2-Benzisoxazoles and 1,2-benzisothiazoles CIBA-GEIGY AG (CH) 1989-01-11 EP disclosed