SCHEMBL8044443

SCHEMBL8044443

c1ccc(-c2csc(Sc3nnnn3-c3cccnc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 3/20 0.46
NPC1 O15118 2/20 0.46
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
AXL P30530 1/20 0.42

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
SCHEMBL8044564 0.90 CYP19A1 (0.48) ALDH1A1RAB9AKDM4EL3MBTL1CYP19A1
SCHEMBL8044812 0.89 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4EL3MBTL1UBE2M
SCHEMBL8043675 0.84 KIT (0.39) ALDH1A1KDM4EL3MBTL1CYP19A1TDP1
SCHEMBL8043953 0.82 TDP1 (0.47) ALDH1A1L3MBTL1LMNASMN1; SMN2TSHR
SCHEMBL8046294 0.81 UBE2M (0.45) ALDH1A1RAB9AKDM4EL3MBTL1UBE2M
SCHEMBL8041897 0.81 ALDH1A1 (0.47) ALDH1A1UBE2MDCUN1D1LMNASMN1; SMN2
SCHEMBL8042159 0.80 RAB9A (0.47) ALDH1A1RAB9AKDM4EL3MBTL1NPC1
SCHEMBL8042528 0.80 ALDH1A1 (0.45) ALDH1A1RAB9AL3MBTL1NPC1UBE2M
SCHEMBL8044654 0.79 MAPT (0.44) ALDH1A1RAB9AKDM4ENPC1UBE2M
SCHEMBL8034319 0.79 ALDH1A1 (0.51) ALDH1A1RAB9AKDM4ENPC1LMNA

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