SCHEMBL8043004

SCHEMBL8043004

CCCc1nnc(Sc2ncc(Cl)s2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.39
MAPK9 P45984 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
MAPK10 P53779 1/20 0.32
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8044324 0.93 ALDH1A1 (0.37) MAPK8MAPK9MAPK10ALDH1A1
SCHEMBL8043915 0.88 MAPK8 (0.37) MAPK8MAPK9MAPK10POLBKMT2A
SCHEMBL8044265 0.85 MAPK8 (0.32) MAPK8MAPK9MAPK10
SCHEMBL8043957 0.81 MAPK8 (0.33) MAPK8MAPK9MAPK10
SCHEMBL8051775 0.81 POLB (0.40) MAPK8MAPK9SMN1; SMN2MAPK10POLB
SCHEMBL8044126 0.80 HDAC6 (0.36) MAPK8MAPK9MAPK10ALDH1A1
SCHEMBL8043927 0.80 ATM (0.47) SMN1; SMN2POLBKMT2ANPC1ALDH1A1
SCHEMBL8032889 0.80 ALDH1A1 (0.37) SMN1; SMN2POLBGAAKMT2AALDH1A1
SCHEMBL8044684 0.77 RXRA (0.42) MAPK8MAPK9POLBGLAGAA
SCHEMBL8048119 0.77 MAPK8 (0.38) MAPK8MAPK9MAPK10POLBGLA

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