SCHEMBL14048853

SCHEMBL14048853

C=C(C)C(=C)Nc1ccc(SN)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 2/20 0.35
PTGIR P43119 2/20 0.34
KIF11 P52732 2/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
PEPD P12955 1/20 0.31
CA12 O43570 1/20 0.31
BRD4 O60885 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL14022286 0.81 RXFP1 (0.57) RXFP1GAAKMT2AMAPTMEN1
SCHEMBL19672881 0.76 SMN1; SMN2 (0.59) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL14301712 0.73 TAS2R38 (0.54) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL12087639 0.71 KMT2A (0.35) RXFP1GAAKMT2AMAPTMEN1
SCHEMBL12461707 0.70 CA1 (0.66) KMT2ACA12CA1CA2CA4
SCHEMBL24246310 0.64 CA12 (0.57) GAAKIF11KMT2AMAPTMEN1
SCHEMBL19825999 0.64 SMN1; SMN2 (0.46) RXFP1KMT2AMAPTMEN1KDM4E
SCHEMBL24910506 0.63 POLB (0.37) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14904374 0.63 CYP1A2 (0.41) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL9978102 0.62 MEN1 (0.59) GAAKMT2AMAPTMEN1ALDH1A1

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-1985445-A1 A lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-10-29 EP disclosed