SCHEMBL10396352

SCHEMBL10396352

Nc1ccc(F)cc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
MAPK1 P28482 2/20 0.67
HTT P42858 2/20 0.67
NPC1 O15118 2/20 0.67
POLB P06746 1/20 0.63
KEAP1 Q14145 1/20 0.56
AKR1C3 P42330 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 2/20 0.46
ABCB11 O95342 1/20 0.46
PTGS1 P23219 1/20 0.46
ADORA1 P30542 1/20 0.46
PTGS2 P35354 1/20 0.46
GAA P10253 1/20 0.44
FADS1 O60427 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.42
PLAU P00749 1/20 0.41

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
SCHEMBL2821586 0.90 MAPT (0.73) MAPTMAPK1HTTNPC1POLB
SCHEMBL10948187 0.90 KEAP1 (0.63) MAPTMAPK1HTTNPC1POLB
SCHEMBL28594338 0.86 MAPT (0.83) MAPTMAPK1HTTNPC1POLB
SCHEMBL2473546 0.84 KEAP1 (0.67) MAPTMAPK1HTTPOLBKEAP1
SCHEMBL29611914 0.84 KEAP1 (0.67) MAPTMAPK1HTTPOLBKEAP1
SCHEMBL5963060 0.83 KEAP1 (0.56) MAPTMAPK1HTTNPC1POLB
SCHEMBL2473605 0.80 MAPT (0.67) MAPTMAPK1HTTNPC1POLB
SCHEMBL344086 0.80 LTA4H (0.58) MAPTMAPK1HTTNPC1POLB
SCHEMBL10396945 0.80 MAPT (1.00) MAPTMAPK1HTTNPC1POLB
SCHEMBL11508307 0.80 NPC1 (0.53) MAPTMAPK1HTTNPC1KEAP1

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
US-4898874-A Acetic acid derivatives of 3-aryl-2,1-benzisoxazole and esters and amides thereof A. H. ROBINS COMPANY, INC. (US) 1990-02-06 US disclosed
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 EP disclosed