SCHEMBL8044406

SCHEMBL8044406

CS(=O)(=O)c1cnc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL8042389 0.82 TSHR (0.57) SMN1; SMN2HTTMEN1KMT2AMAPK1
SCHEMBL8710522 0.82 TP53 (0.46) SMN1; SMN2POLBHTTMEN1KMT2A
SCHEMBL8044387 0.82 TSHR (0.37) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL8042581 0.81 ATM (0.47) ATMSMN1; SMN2POLBHTTMEN1
SCHEMBL8052238 0.81 POLB (0.45) ATMSMN1; SMN2POLBHTTMEN1
SCHEMBL8044722 0.80 RPA1 (0.45) SMN1; SMN2MEN1KMT2AMAPK1TSHR
SCHEMBL8045179 0.80 TSHR (0.33) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL8046377 0.79 ALDH1A1 (0.47) SMN1; SMN2HTTTSHRALDH1A1NPC1
SCHEMBL8032969 0.79 SIRT2 (0.45) ATMSMN1; SMN2POLBHTTMEN1
SCHEMBL8051030 0.78 HTT (0.43) ATMSMN1; SMN2HTTMEN1KMT2A

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