SCHEMBL8044648

SCHEMBL8044648

Cc1csc(Sc2nncn2C)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
GCK P35557 7/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CBLB Q13191 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8032536 0.76 RAB9A (0.56) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL8044478 0.75 MEN1 (0.40) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL8046692 0.74 ABL1 (0.44) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL8046497 0.74 HSD17B10 (0.43) HSD17B10GCKKDM4EALDH1A1POLB
SCHEMBL8050834 0.73 GCK (0.46) HSD17B10GCKALDH1A1CBLBLMNA
SCHEMBL8042838 0.73 SMN1; SMN2 (0.50) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL8043093 0.71 SMN1; SMN2 (0.38) GCKPOLBRAB9ACBLBSMN1; SMN2
SCHEMBL8041800 0.71 HSD17B10 (0.34) HSD17B10GCKMEN1KMT2AKDM4E
SCHEMBL8034370 0.70 MEN1 (0.37) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL8045340 0.69 KDM4E (0.63) HSD17B10MEN1KMT2AKDM4EALDH1A1

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