SCHEMBL8043966

SCHEMBL8043966

CCc1ccccc1-n1nnc(Sc2nc3ccc([N+](=O)[O-])cc3s2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 4/20 0.52
MEN1 O00255 2/20 0.52
PDK1 Q15118 1/20 0.50
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RIPK1 Q13546 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8048729 0.85 ELANE (0.47) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8045225 0.85 KMT2A (0.46) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8046514 0.83 LMNA (0.44) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8050314 0.82 PDK1 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8042104 0.81 ALDH1A1 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8042298 0.81 PDK1 (0.60) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8046659 0.81 PDK1 (0.54) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8043201 0.79 PDK1 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8049876 0.79 PDK1 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8044472 0.78 PDK1 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2HTT

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