SCHEMBL8042535

SCHEMBL8042535

Cc1csc(Sc2nnnn2-c2ccc(N(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
MAPT P10636 7/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 7/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 11/20 0.40
LMNA P02545 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 5/20 0.40
HTT P42858 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 4/20 0.40
JAK2 O60674 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
SCHEMBL8044963 0.85 ALDH1A1 (0.42) MAPTPOLBKMT2AKDM4EMEN1
SCHEMBL8043945 0.84 ALDH1A1 (0.57) MAPTKMT2AKDM4EMEN1NPSR1
SCHEMBL8042731 0.84 ALDH1A1 (0.41) MAPTPOLBKMT2AKDM4EMEN1
SCHEMBL8046282 0.82 SMN1; SMN2 (0.49) PTGS2MAPTPOLBKMT2AKDM4E
SCHEMBL8044654 0.82 MAPT (0.44) PTGS2MAPTPOLBKMT2AKDM4E
SCHEMBL8048028 0.81 KMT2A (0.44) PTGS2MAPTPOLBKMT2AKDM4E
SCHEMBL8032329 0.81 RECQL (0.53) PTGS2MAPTPOLBKMT2AMEN1
SCHEMBL8047806 0.80 MAPT (0.43) PTGS2MAPTPOLBKMT2AKDM4E
SCHEMBL8044228 0.80 MAPT (0.41) PTGS2MAPTPOLBKMT2AMEN1
SCHEMBL8032815 0.80 SMN1; SMN2 (0.52) MAPTKMT2AKDM4EMEN1NPSR1

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed