SCHEMBL9705736

SCHEMBL9705736

Oc1c(Cl)cc(C2=NCCO2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
LSS P48449 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
Hydrochloric Acid SCHEMBL9705714 0.98 TTR (0.45) TTRTSHRHSD17B10ALDH1A1CYP3A4
SCHEMBL9862894 0.85 NISCH (0.41) CYP2C9CYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL9666810 0.81 ESR2 (0.44) TSHRHSD17B10LSS
SCHEMBL3794785 0.80 KCNH2 (0.38) LSSSMN1; SMN2KCNH2HRH3
SCHEMBL7519297 0.79 KCNH2 (0.34) LSSSMN1; SMN2KCNH2HRH3
SCHEMBL6670692 0.79 KCNH2 (0.34) LSSKCNH2HRH3
SCHEMBL9700423 0.78 CA1 (0.46) ALDH1A1CYP2C9CYP1A2CYP2C19KCNH2
SCHEMBL29367971 0.78 AHR (0.46) TSHRHSD17B10ALDH1A1LSSALOX15
Hydrochloric Acid SCHEMBL9705801 0.76 CRHBP (0.37) TTRTSHRHSD17B10ALDH1A1CYP3A4
SCHEMBL7303946 0.76 LSS (0.33) LSSSMN1; SMN2KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 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-4861791-A Dihydro-oxazolyl substituted-phenyl-aliphatic lower alkyl and their use as antiviral agents STERLING DRUG INC. (US) 1989-08-29 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed