SCHEMBL8048032

SCHEMBL8048032

CN(C)CCCn1c(Sc2nc(CC(=O)O)cs2)nnc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 3/20 0.40
MIF P14174 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CPB1 P15086 1/20 0.39

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
SCHEMBL8047188 0.87 MEN1 (0.53) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL8050622 0.85 MEN1 (0.40) RECQLMEN1KMT2AKDM4ENPC1
SCHEMBL8033896 0.84 NPC1 (0.54) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL8048230 0.84 KDM4E (0.43) RECQLMEN1KMT2AKDM4ENPC1
SCHEMBL8043113 0.84 RAB9A (0.48) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL8050800 0.82 HTR1A (0.49) RECQLKMT2AKDM4ENPC1RAB9A
SCHEMBL8046882 0.80 RECQL (0.41) RECQLMEN1KMT2AKDM4ENPC1
SCHEMBL8047015 0.79 RECQL (0.52) RECQLMEN1KMT2AKDM4ENPC1
SCHEMBL8043598 0.79 RECQL (0.55) RECQLMEN1KMT2AKDM4EALDH1A1
SCHEMBL8044774 0.78 KDM4E (0.43) RECQLMEN1KMT2AKDM4ENPC1

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