SCHEMBL8046860

SCHEMBL8046860

CC(C)(C)n1nnc(Sc2ncc(NC(=O)c3ccccc3)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL8033698 0.86 SMN1; SMN2 (0.42) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8050490 0.85 CCNE1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8033858 0.83 ADORA2A (0.49) PKMNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8049974 0.82 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL1991055 0.81 HDAC6 (0.40) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL8047828 0.80 HDAC6 (0.44) NPC1RAB9ASMN1; SMN2HDAC6MEN1
SCHEMBL8047833 0.80 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8041832 0.80 RAB9A (0.53) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8032463 0.79 POLB (0.41) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL8047827 0.79 NPC1 (0.41) POLBNPC1RAB9ASMN1; SMN2TP53

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