SCHEMBL8041832

SCHEMBL8041832

CCCCn1nnc(Sc2ncc(NC(=O)c3ccccc3)s2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 7/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 7/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 3/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8049974 0.94 RAB9A (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8033858 0.90 ADORA2A (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8047827 0.87 NPC1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1991055 0.86 HDAC6 (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8047828 0.85 HDAC6 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8033698 0.85 SMN1; SMN2 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8033862 0.81 POLB (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8047833 0.81 NPC1 (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8050490 0.80 CCNE1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8046860 0.80 POLB (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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