SCHEMBL8045352

SCHEMBL8045352

CCCn1nnnc1Sc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
FBP1 P09467 2/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 5/20 0.37
PDK1 Q15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8043030 0.92 HTT (0.42) ALOX15FBP1KMT2ALMNANPSR1
SCHEMBL8042471 0.88 ALDH1A1 (0.47) FBP1KMT2ALMNANPSR1ALDH1A1
SCHEMBL8710280 0.83 CYP2C9 (0.44) ALOX15FBP1KMT2ALMNAHSD17B10
SCHEMBL8045829 0.83 HTR7 (0.47) KMT2ALMNANPSR1HTR7
SCHEMBL8038016 0.80 HTT (0.46) ALOX15FBP1KMT2ALMNAHSD17B10
SCHEMBL8032420 0.80 ALDH1A1 (0.39) KMT2ALMNAHSD17B10NPSR1ALDH1A1
SCHEMBL8044130 0.79 NPSR1 (0.33) ALOX15FBP1KMT2ALMNAHSD17B10
SCHEMBL8046169 0.78 KDM4C (0.39) ALOX15FBP1KMT2ALMNAHSD17B10
SCHEMBL8044019 0.77 KMT2A (0.40) ALOX15KMT2ALMNAHSD17B10NPSR1
SCHEMBL8051547 0.77 KMT2A (0.48) KMT2ALMNAALDH1A1MEN1RAB9A

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