SCHEMBL8046313

SCHEMBL8046313

CCCCn1nnc(Sc2ncc(Cl)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
F2 P00734 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TOP2A P11388 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL8042849 0.92 ALDH1A1 (0.33) ALDH1A1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL8042548 0.87 TRPM8 (0.34) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL8044846 0.81 RAB9A (0.42) ALDH1A1RAB9AMAPTKMT2AMAPK1
SCHEMBL8044527 0.81 RAB9A (0.35) ALDH1A1RAB9AMAPTKMT2AMAPK1
SCHEMBL8032365 0.80 MAPK8 (0.49) ALDH1A1RAB9AMAPTKMT2AMAPK1
SCHEMBL8042291 0.79 USP7 (0.30)
SCHEMBL8044714 0.79 RAB9A (0.34) ALDH1A1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8037025 0.77 MEN1 (0.37) KMT2AMEN1
SCHEMBL8042296 0.74 RAB9A (0.39) ALDH1A1RAB9AMAPTKMT2AMAPK1
SCHEMBL8041832 0.73 RAB9A (0.53) ALDH1A1RAB9AKMT2AMAPK1SMN1; SMN2

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