SCHEMBL8044623

SCHEMBL8044623

CCCCn1nnc(Sc2nc([N+](=O)[O-])cs2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
F2 P00734 1/20 0.37
MEN1 O00255 4/20 0.36
MAPK1 P28482 5/20 0.34
NPC1 O15118 5/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TSHR P16473 1/20 0.31
LMNA P02545 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
SCHEMBL8042296 0.80 RAB9A (0.39) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8032365 0.78 MAPK8 (0.49) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8049876 0.77 PDK1 (0.52) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8043683 0.76 HTR1A (0.47) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8045034 0.76 RAB9A (0.41) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8044338 0.74 POLB (0.44) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8050186 0.73 ATP4A (0.35) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8033941 0.72 SMN1; SMN2 (0.36) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8045984 0.71 MAPK8 (0.51) RAB9AALDH1A1KMT2AMAPTMEN1
SCHEMBL10441406 0.70 MAPT (0.38) RAB9AALDH1A1KMT2AMAPTMEN1

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