SCHEMBL9689288

SCHEMBL9689288

O=C(O)C(Br)c1noc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
MCL1 Q07820 2/20 0.39
TTR P02766 3/20 0.38
HIF1A Q16665 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ3 P48549 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14185644 0.78 HIF1A (0.45) ALDH1A1HIF1ASMN1; SMN2TP53
SCHEMBL692254 0.78 HIF1A (0.45) ALDH1A1HIF1ASMN1; SMN2TP53
SCHEMBL11211029 0.76 FAAH (0.41) FAAHKMT2AHIF1ANPC1RAB9A
SCHEMBL12589285 0.74 FAAH (0.46) FAAHALDH1A1KMT2AMCL1HPGD
SCHEMBL25184628 0.73 FAAH (0.51) FAAHALDH1A1KMT2AMCL1TTR
SCHEMBL6989194 0.71 FAAH (0.51) FAAHALDH1A1KMT2AMCL1TTR
SCHEMBL24191027 0.71 FAAH (0.46) FAAHALDH1A1KMT2AKDM4EHPGD
SCHEMBL9688656 0.70 MAPT (0.68) FAAHALDH1A1KMT2AKDM4EHPGD
SCHEMBL17454454 0.69 FAAH (0.54) FAAHALDH1A1KMT2AMCL1TTR
SCHEMBL17452808 0.69 FAAH (0.50) FAAHALDH1A1KMT2AMCL1HIF1A

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