SCHEMBL2108378

SCHEMBL2108378

Fc1ccc(Br)cc1CN=C=S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.43
NAAA Q02083 1/20 0.40
TRPA1 O75762 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
DPP4 P27487 1/20 0.34
PYCR1 P32322 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
DGAT1 O75907 1/20 0.30

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
SCHEMBL2106707 0.86 NAAA (0.49) MIFNAAATRPA1ALDH1A1CYP3A4
SCHEMBL30529263 0.75 MIF (0.45) MIFNAAATRPA1ALDH1A1CYP3A4
SCHEMBL3933178 0.73 MIF (0.52) MIFNAAATRPA1ALDH1A1CYP3A4
SCHEMBL2022735 0.71 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2108224 0.71 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2106339 0.71 MIF (0.43) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29374969 0.71 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL138081 0.70 DPP4 (0.41) ALDH1A1DPP4PYCR1BRD4BRD2
SCHEMBL29137937 0.70 DPP4 (0.41) ALDH1A1DPP4PYCR1BRD4BRD2
SCHEMBL4780073 0.69 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD

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
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
EP-1841320-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS S.U.L.V.E. Ltd. (IL) 2007-10-10 EP disclosed
WO-2006075330-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS S.U.L.V.E. LTD. (IL) 2006-07-20 WO disclosed