SCHEMBL8044890

SCHEMBL8044890

Cc1csc(Sc2nnc(CCc3ccccc3)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SRC P12931 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8044299 0.88 ALDH1A1 (0.45) MEN1KMT2ATHRBHSD17B10LMNA
SCHEMBL8033029 0.83 ATM (0.49) ATMMEN1KMT2AKDM4ELMNA
SCHEMBL8043606 0.81 MEN1 (0.42) MEN1KMT2AKDM4EHPGDLMNA
SCHEMBL8050068 0.80 MEN1 (0.41) MEN1KMT2ATHRBHPGDLMNA
SCHEMBL8044906 0.80 MEN1 (0.41) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL8046229 0.79 HDAC1 (0.44) ATMMEN1KMT2AKDM4EUSP2
SCHEMBL8043474 0.78 MEN1 (0.53) MEN1KMT2AKDM4EHPGDLMNA
SCHEMBL8044404 0.78 ATM (0.44) ATMMEN1KMT2AKDM4EHSD17B10
SCHEMBL8034279 0.77 HDAC6 (0.45) ATMMEN1KMT2ATHRBHPGD
SCHEMBL8033099 0.77 MEN1 (0.43) MEN1KMT2ATHRBUSP2HPGD

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