SCHEMBL8044748

SCHEMBL8044748

Clc1ccc(-c2csc(Sc3nnnn3-c3nccs3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
JAK2 O60674 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 2/20 0.39
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.36
AR P10275 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL8043970 0.89 KMT2A (0.43) TP53HSD17B10CYP1A2KMT2ALMNA
SCHEMBL8050933 0.83 LMNA (0.40) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8047667 0.81 LMNA (0.40) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8041897 0.81 ALDH1A1 (0.47) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8046536 0.80 KDM4E (0.33) KDM4EMAPTARHTTPIP4K2C
SCHEMBL8715721 0.80 ALDH1A1 (0.41) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8033588 0.79 HSD17B10 (0.45) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8711210 0.78 HTT (0.41) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8044564 0.78 CYP19A1 (0.48) TP53HSD17B10JAK2TLR9CYP1A2
SCHEMBL8714734 0.78 KMT2A (0.43) TP53HSD17B10JAK2TLR9CYP1A2

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