SCHEMBL20057531

SCHEMBL20057531

CNc1cccc(NC(N)=S)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 6/20 0.57
TP53 P04637 1/20 0.57
TYR P14679 1/20 0.57
TSHR P16473 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4047674 0.89 KMT2A (0.76) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL29654057 0.81 ALDH1A1 (0.62) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL5459330 0.81 ALDH1A1 (0.62) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL20714982 0.80 CYP1A2 (0.43) CYP1A2KMT2AALDH1A1TSHRHSD17B10
SCHEMBL1886408 0.80 CYP1A2 (1.00) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL8350546 0.80 GAA (0.50) CYP1A2ALDH1A1HSD17B10GAAMAPT
SCHEMBL11751583 0.79 ALDH1A1 (0.61) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL29654010 0.78 KMT2A (0.66) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL28936790 0.78 KMT2A (0.66) CYP1A2KMT2AALDH1A1TP53TYR
SCHEMBL1884582 0.78 KMT2A (1.00) CYP1A2KMT2AALDH1A1TP53TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed