SCHEMBL8629458

SCHEMBL8629458

Cc1ccc(C)c(Nc2nc(S)nc(S)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
RAPGEF4 Q8WZA2 1/20 0.50
MAPT P10636 2/20 0.46
SRC P12931 1/20 0.46
SYK P43405 1/20 0.46
GAA P10253 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8633131 0.78 HTT (0.51) KMT2ANPC1RAB9ASMN1; SMN2PKM
SCHEMBL29196035 0.76 RAPGEF4 (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11615704 0.73 RAB9A (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11564238 0.71 RAPGEF4 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1921826 0.70 RAPGEF4 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17858219 0.69 RAPGEF4 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1921827 0.69 RAPGEF4 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17858100 0.69 RAPGEF4 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14438164 0.68 KCNH3 (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL655868 0.68 AURKA (0.58) SRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508390-B1 Light-sensitive silver halide photographic material KONISHIROKU PHOTO IND (JP) 1998-07-01 EP disclosed
US-5258280-A 2-amino-4,6-dimercapto-1,3,5-triazine derivatives; blackness, high covering power KONICA CORPORATION (JP) 1993-11-02 US disclosed
EP-0508390-A2 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1992-10-14 EP disclosed