SCHEMBL8044404

SCHEMBL8044404

Clc1ccc(-c2csc(Sc3nnc(CCc4ccccc4)s3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
PLAU P00749 1/20 0.43
ALOX5 P09917 1/20 0.41
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 1/20 0.38
KDM1A O60341 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTR1A P08908 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
SCHEMBL8033029 0.92 ATM (0.49) ATMRAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL8048496 0.84 MEN1 (0.43) PLAUALOX5RAB9ASMN1; SMN2KDM4E
SCHEMBL8032967 0.84 RAB9A (0.48) ATMPLAURAB9ASMN1; SMN2KDM4E
SCHEMBL8048236 0.83 MAPT (0.44) ATMPLAURAB9ASMN1; SMN2KDM4E
SCHEMBL8042877 0.83 HDAC6 (0.44) RAB9ASMN1; SMN2KDM4ELMNAMEN1
SCHEMBL8043773 0.82 KMT2A (0.47) PLAUALOX5RAB9ASMN1; SMN2KDM4E
SCHEMBL8032807 0.82 MEN1 (0.45) PLAUALOX5RAB9ASMN1; SMN2KDM4E
SCHEMBL8042990 0.82 RAB9A (0.47) ATMPLAURAB9ASMN1; SMN2KDM4E
SCHEMBL8048154 0.80 ALDH1A1 (0.48) RAB9ASMN1; SMN2KDM4ELMNAHTT
SCHEMBL8033919 0.80 ATM (0.40) ATMALOX5RAB9AKDM4EHTT

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed