SCHEMBL9615264

SCHEMBL9615264

CCCCCNC(=S)CN

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.46
DPP7 Q9UHL4 2/20 0.43
CASP2 P42575 1/20 0.42
RRM1 P23921 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL4639538 0.81 EPHX1 (0.50) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL7855738 0.79 EPHX1 (0.48) EPHX1DPP7CASP2RRM1ALDH1A1
SCHEMBL2531076 0.79 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11176825 0.77 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11318989 0.77 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18248636 0.77 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11309804 0.77 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL9170235 0.77 EPHX1 (0.52) EPHX1DPP7CASP2RRM1GNAI3
SCHEMBL9175538 0.77 EPHX1 (0.52) EPHX1DPP7CASP2RRM1GNAI3
SCHEMBL22365675 0.77 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4124172-A None JP disclosed
JP-H04124172-A ALPHA-AMINO-THIOACETAMIDE DERIVATIVE AND ITS PRODUCTION NISSAN CHEM IND LTD 1992-04-24 JP disclosed