SCHEMBL9748732

SCHEMBL9748732

NS(=O)(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.57
MCL1 Q07820 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LDHA P00338 1/20 0.47
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL11070082 0.82 BCL2 (0.64) BCL2BCL2L1
SCHEMBL9750351 0.78 CNR2 (0.42) CYP2C9MCL1HSD17B10
SCHEMBL7535265 0.77 MCL1 (0.67) CYP2C9MCL1HSD17B10LDHA
SCHEMBL9747950 0.76 BCL2 (0.50) BCL2BCL2L1
SCHEMBL8772360 0.75 HMGB1 (0.56) BCL2BCL2L1PTPN1PTPN2PTPN6
SCHEMBL9750299 0.74 PTPN1 (0.53) CYP2C9HSD17B10BCL2PTPN1PTPN2
SCHEMBL30988956 0.73 CA2 (0.50) CYP2C9BCL2BCL2L1
SCHEMBL407413 0.73 CA2 (0.50) CYP2C9BCL2BCL2L1
SCHEMBL5663542 0.73 PTPN1 (0.47) BCL2BCL2L1PTPN1PTPN2PTPN6
SCHEMBL9748865 0.73 PTPN1 (0.64) CYP2C9HSD17B10BCL2PTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4985435-A TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4906636-A 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4833164-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-23 US disclosed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP disclosed