SCHEMBL8045937

SCHEMBL8045937

Cc1csc(Sc2nnnn2-c2sccc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
HSD17B10 Q99714 3/20 0.38
JAK2 O60674 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 11/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 5/20 0.33
RAB9A P51151 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 4/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8042914 0.81 LMNA (0.43) TP53HSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL8042172 0.81 ALDH1A1 (0.38) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8050933 0.81 LMNA (0.40) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8047144 0.81 HSD17B10 (0.40) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8044691 0.78 HSD17B10 (0.36) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8044908 0.78 TP53 (0.35) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8715721 0.78 ALDH1A1 (0.41) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8047860 0.78 TP53 (0.38) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8043601 0.77 ALDH1A1 (0.37) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8043071 0.77 TP53 (0.35) TP53HSD17B10JAK2TLR9ALDH1A1

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