SCHEMBL8042860

SCHEMBL8042860

O=C(Nc1cnc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)s1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
HTT P42858 1/20 0.40
PTK2 Q05397 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL8043654 0.85 TSHR (0.52) HDAC6MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8043803 0.83 HDAC6 (0.41) HDAC6POLBSMN1; SMN2NPSR1NPC1
SCHEMBL8052238 0.83 POLB (0.45) HDAC6POLBMEN1KMT2AATM
SCHEMBL8042586 0.82 RPA1 (0.47) HDAC6MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8045350 0.81 SMN1; SMN2 (0.39) HDAC6MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8042913 0.81 ALDH1A1 (0.44) HDAC6POLBSMN1; SMN2NPSR1ADORA3
SCHEMBL8046929 0.80 TSHR (0.52) HDAC6MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8032459 0.80 HSD17B10 (0.49) HDAC6MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL8049866 0.80 PKM (0.45) HDAC6POLBMEN1KMT2ASMN1; SMN2
SCHEMBL8045038 0.79 TSHR (0.47) HDAC6MEN1KMT2ASMN1; SMN2NPSR1

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