SCHEMBL2108224

SCHEMBL2108224

Fc1ccc(CN=C=S)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 13/20 0.56
TRPA1 O75762 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 2/20 0.33
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2A13 Q16696 1/20 0.32
EPAS1 Q99814 1/20 0.32
FAAH O00519 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
SCHEMBL2141861 0.73 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3253628 0.72 MIF (0.57) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780073 0.72 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1457562 0.72 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2108378 0.71 MIF (0.43) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1551628 0.70 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2338356 0.70 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL483536 0.70 MIF (0.74) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL333551 0.70 CYP1A2 (0.53) TRPA1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL11244115 0.70 KDM4E (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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