SCHEMBL9687877

SCHEMBL9687877

BrCc1noc2c1ccc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 5/20 0.33
KDM4E B2RXH2 5/20 0.33
CYP1A1 P04798 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP1B1 Q16678 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL20870711 0.75 SMN1; SMN2 (0.41) SMN1; SMN2LMNA
SCHEMBL20870709 0.74 SMN1; SMN2 (0.40) CYP2A6SMN1; SMN2CYP1A2LMNATP53
SCHEMBL28548078 0.74 SMN1; SMN2 (0.40) SMN1; SMN2LMNATP53
SCHEMBL692195 0.72 LMNA (0.58) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL29361971 0.72 LMNA (0.58) ALDH1A1SMN1; SMN2HPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL9688609 0.71 POLB (0.53) SMN1; SMN2KMT2ACYP1A2MAPTPOLB
SCHEMBL9689857 0.70 MAPT (0.39) SMN1; SMN2KDM4ECYP1A2MAPTPOLB
SCHEMBL4548300 0.69 HPRT1 (0.39) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL29526949 0.64 PLAU (0.50) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL242954 0.64 PLAU (0.50) HPRT1ALDH1A1HSD17B10TSHRCYP2A6

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