SCHEMBL2106707

SCHEMBL2106707

Fc1cc(Br)ccc1CN=C=S

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
MIF P14174 5/20 0.43
PYCR1 P32322 1/20 0.43
AKR1B1 P15121 1/20 0.38
TRPA1 O75762 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KDM1A O60341 1/20 0.35
TRAP1 Q12931 5/20 0.35
PDPK1 O15530 1/20 0.35
HSP90B1 P14625 3/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 1/20 0.34
DGAT1 O75907 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL2108378 0.86 MIF (0.43) NAAAMIFPYCR1TRPA1ALDH1A1
SCHEMBL7750833 0.82 PYCR1 (0.46) NAAAPYCR1AKR1B1KDM1ATRAP1
SCHEMBL2106339 0.79 MIF (0.43) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL30529263 0.75 MIF (0.45) NAAAMIFTRPA1ALDH1A1CYP3A4
SCHEMBL3933178 0.73 MIF (0.52) NAAAMIFTRPA1ALDH1A1CYP3A4
SCHEMBL28839005 0.72 MIF (0.58) MIF
SCHEMBL29374969 0.71 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2022735 0.71 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL28689565 0.71 PYCR1 (0.40) NAAAPYCR1AKR1B1KDM1ATRAP1
SCHEMBL27686599 0.71 NAAA (0.48) NAAAPYCR1AKR1B1KDM1APDPK1

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