SCHEMBL9668261

SCHEMBL9668261

Oc1ccc(C2=NCCO2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
ESR2 Q92731 9/20 0.41
HSD17B1 P14061 4/20 0.41
HSD17B2 P37059 3/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
MIF P14174 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL9668282 0.80 HSD17B1 (0.41) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL9863041 0.80 ESR1 (0.39) ESR1ESR2
SCHEMBL9666810 0.80 ESR2 (0.44) ESR1ESR2HSD17B1HSD17B2HSD17B10
SCHEMBL9862880 0.80 ALDH1A1 (0.44) KDM4ELMNAHSD17B10CYP3A4
SCHEMBL9863124 0.78 APP (0.37)
SCHEMBL9863172 0.76 HSP90AA1 (0.39) ESR1ESR2
SCHEMBL9666112 0.76 POLB (0.47) KDM4ELMNAHSD17B10MIF
SCHEMBL7902803 0.76 KCNH2 (0.36)
SCHEMBL9862881 0.76 ERN1 (0.52)
SCHEMBL9863426 0.76 HSD17B1 (0.45) ESR1ESR2HSD17B1

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
EP-0137242-B1 (SUBSTITUTED) PHENYL-ALIPHATIC-ISOXAZOLES USEFUL AS ANTIVIRAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-05-13 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed