SCHEMBL8052246

SCHEMBL8052246

CCCn1nnnc1Sc1nc(C(C)(C)C)c(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 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
SCHEMBL8032337 0.93 HTT (0.39) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL8045327 0.90 ALDH1A1 (0.42) KMT2ALMNANPSR1HSD17B10MAPT
SCHEMBL8033860 0.85 DCUN1D1 (0.36)
SCHEMBL8044008 0.85 ALDH1A1 (0.42) KMT2ALMNAHSD17B10ALDH1A1TP53
SCHEMBL8050969 0.84 KMT2A (0.39) KMT2ALMNANPSR1HSD17B10MAPT
SCHEMBL8032728 0.83 ALDH1A1 (0.37) KMT2ALMNANPSR1HSD17B10MAPT
SCHEMBL8047970 0.83 HTT (0.39) KMT2ALMNAHSD17B10MAPTMEN1
SCHEMBL8046340 0.82 KMT2A (0.34) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL8047183 0.81
SCHEMBL8048338 0.80 ALDH1A1 (0.42) KMT2ALMNANPSR1HSD17B10MAPT

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