SCHEMBL2106339

SCHEMBL2106339

Fc1cc(Cl)ccc1CN=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.43
TRPA1 O75762 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CXCR3 P49682 3/20 0.35
IDO1 P14902 1/20 0.33
GRM2 Q14416 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 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
SCHEMBL3365419 0.81 IDO1 (0.48) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL2106707 0.79 NAAA (0.49) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL12028418 0.76 TP53 (0.42) CYP3A4ALDH1A1TP53HTR1AHTR2A
SCHEMBL5546270 0.76 CYP3A4 (0.39) CYP3A4HPGDTP53HTR1AHTR2A
SCHEMBL30529263 0.75 MIF (0.45) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL3933178 0.73 MIF (0.52) MIFTRPA1CYP3A4ALDH1A1HPGD
SCHEMBL5544232 0.73 HTR2A (0.37) CYP3A4ALDH1A1TP53HTR1AHTR2A
SCHEMBL28839005 0.72 MIF (0.58) MIF
SCHEMBL4604208 0.72 KMT2A (0.48) CYP3A4ALDH1A1HPGDTP53HTR1A
SCHEMBL2108378 0.71 MIF (0.43) MIFTRPA1CYP3A4ALDH1A1HPGD

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