SCHEMBL8041804

SCHEMBL8041804

CCCn1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8042982 0.94 KMT2A (0.35) RAB9AALDH1A1SMN1; SMN2NPC1AGTR1
SCHEMBL8050861 0.91 MAPT (0.32) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8032541 0.86 LMNA (0.33) RECQLKMT2AMEN1MAPT
SCHEMBL8043559 0.85 MAPT (0.34) ALDH1A1NPC1MAPT
SCHEMBL8048326 0.84 TP53 (0.37) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8052295 0.82 RAB9A (0.40) RAB9AALDH1A1SMN1; SMN2NPC1AGTR1
SCHEMBL8042872 0.81 MAPT (0.33) ALDH1A1MAPT
SCHEMBL8048153 0.80 MAPT (0.32) ALDH1A1MAPT
SCHEMBL8033927 0.79 NPSR1 (0.40) RAB9AALDH1A1NPC1KMT2AMEN1
SCHEMBL8048329 0.77 MAPT (0.36) ALDH1A1SMN1; SMN2AGTR1AGTR2KMT2A

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