SCHEMBL7672533

SCHEMBL7672533

Cc1csc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
KDM4A O75164 1/20 0.48
KDM4B O94953 1/20 0.48
KDM5C P41229 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
GCK P35557 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
FLT3 P36888 1/20 0.45
BRAF P15056 1/20 0.44

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
SCHEMBL7672845 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL7000771 0.76 KDM4A (0.45) ALDH1A1SMN1; SMN2KDM4AKDM4BKDM5C
SCHEMBL7001335 0.76 BCAT2 (0.52) ALDH1A1GCKMEN1KMT2ANPC1
SCHEMBL6154660 0.74 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL29503163 0.72 GAA (0.55) ALDH1A1SMN1; SMN2GAAPOLBHSD17B10
SCHEMBL1397448 0.72 GAA (0.55) ALDH1A1SMN1; SMN2GAAPOLBHSD17B10
SCHEMBL7002815 0.71 POLB (0.55) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL7676444 0.71 FLT3 (0.55) ALDH1A1MEN1KMT2ANPSR1NPC1
SCHEMBL29646375 0.71 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4AKDM4BKDM5C
SCHEMBL14482756 0.71 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4AKDM4BKDM5C

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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed