SCHEMBL9817341

SCHEMBL9817341

O=C(Cl)c1cc(CBr)on1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL1805432 0.82 PTPN1 (0.44) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3066466 0.82 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2373540 0.80 SMN1; SMN2 (0.49) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL18819583 0.80 SMN1; SMN2 (0.40) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9593485 0.77 RAB9A (0.57) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5243287 0.76 MRGPRX4 (0.51) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3066648 0.76 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10925695 0.74 GSK3B (0.43) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL892010 0.73 CYP1A2 (0.46) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10925057 0.73 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059614-A NOVEL ISOXAZOLE AND ISOXAZOLINE COMPOUNDS WITH ANTICONVULSANT ACTIVITY PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM NOVAPHARME (FR) 1991-10-22 US disclosed
EP-0123418-B1 4-HYDROXY-N-(5((SUBSTITUTED HETERO) METHYL)-3-ISOXAZOLYL-2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE,1,1-DIOXIDE AND 4-HYDROXY-2-ALKYL-N-(5-((SUBSTITUTED HETERO) METHYL)-3-ISOXAZOLYL)2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE,1,1-DIOXIDE WARNER-LAMBERT COMPANY (US) 1988-01-20 EP disclosed
US-4581458-A 5-substituted-3-aminoisoxazole compounds WARNER-LAMBERT COMPANY (US) 1986-04-08 US disclosed
US-4489077-A 3-Isoxa-zolyl-2H-1,2-benzothiazine-3-carboxamide, 1,1-dioxides WARNER-LAMBERT COMPANY (US) 1984-12-18 US disclosed
EP-0123418-A1 4-Hydroxy-N-(5((substituted hetero) methyl)-3-isoxazolyl-2H-1,2-benzothiazine-3-carboxamide,1,1-dioxide and 4-hydroxy-2-alkyl-N-(5-((substituted hetero) methyl)-3-isoxazolyl)2H-1,2-benzothiazine-3-carboxamide,1,1-dioxide WARNER-LAMBERT COMPANY (US) 1984-10-31 EP disclosed