SCHEMBL2109303

SCHEMBL2109303

Fc1cccc(F)c1CN=C=S

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 13/20 0.53
TRPA1 O75762 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2A13 Q16696 1/20 0.36
EPAS1 Q99814 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 1/20 0.33
NAAA Q02083 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25036351 0.87 TAAR1 (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1647903 0.78 GAA (0.37) MIFALDH1A1CYP3A4TAAR1GAA
SCHEMBL5573138 0.78 MIF (0.49) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3933178 0.77 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL18012189 0.70 TAAR1 (0.39) ALDH1A1TAAR1GAAKDM4ESMN1; SMN2
SCHEMBL13525495 0.69 MIF (0.53) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1551628 0.69 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL483536 0.68 MIF (0.74) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8762257 0.68 MIF (0.42) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL22366667 0.67 GABRA1 (0.46) MIFALDH1A1CYP3A4HPGDTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020021544-A1 CANNABIDIOL AND METHYLTHIO-BUTYL-ISOTHIOCYANATE FOR TREATING INFLAMMATORY DISEASES BOL PHARMA LTD. (IL) 2020-01-30 WO disclosed
US-20120208879-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS GAVISH-GALILEE BIO APPLICATIONS LTD. (IL) 2012-08-16 US disclosed
US-8158161-B2 Methods and pharmaceutical compositions useful for treating psoriasis S.U.L.V.E. LTD. (IL) 2012-04-17 US disclosed
US-20080044497-A1 Methods and Pharmaceutical Compositions Useful for Treating Psoriasis S.U.L.V.E. LTD. (IL) 2008-02-21 US disclosed