SCHEMBL8044130

SCHEMBL8044130

CS(=O)(=O)CCCCCn1nnnc1Sc1nccs1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK10 P53779 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
FBP1 P09467 1/20 0.31
HTT P42858 2/20 0.31
KDM1A O60341 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
SCHEMBL8033073 0.82 RAB9A (0.36) LMNAKMT2ATP53GAARAB9A
SCHEMBL8047435 0.82 LMNA (0.33) LMNAKMT2AHTT
SCHEMBL8043030 0.82 HTT (0.42) NPSR1LMNAKMT2AALOX15GAA
SCHEMBL8045080 0.80 LMNA (0.31) LMNAKMT2A
SCHEMBL8045352 0.79 ALOX15 (0.41) NPSR1LMNAKMT2AALOX15RAB9A
SCHEMBL8717421 0.79 HTR7 (0.36) NPSR1KDM1A
SCHEMBL8045829 0.79 HTR7 (0.47) NPSR1LMNAKMT2AKDM1A
SCHEMBL8710280 0.79 CYP2C9 (0.44) NPSR1LMNAKMT2AALOX15TP53
SCHEMBL8032986 0.78 RXRA (0.34) LMNAKMT2ATP53GAASMN1; SMN2
SCHEMBL8041849 0.77 RAB9A (0.38) LMNAKMT2ATP53RAB9ASMN1; 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