SCHEMBL8050451

SCHEMBL8050451

CCn1nnnc1Sc1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
HCAR3 P49019 1/20 0.44
ALDH1A1 P00352 11/20 0.43
HPGD P15428 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 3/20 0.41
MITF O75030 2/20 0.41

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
SCHEMBL8048558 0.92 HCAR3 (0.46) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8042861 0.90 HCAR3 (0.48) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8050220 0.89 MAPT (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8052166 0.86 ALDH1A1 (0.58) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8043375 0.85 SMN1; SMN2 (0.45) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8050295 0.85 ALDH1A1 (0.39) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8044141 0.85 ALDH1A1 (0.48) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8042101 0.83 HPGD (0.45) MAPTHCAR3ALDH1A1HPGDMEN1
SCHEMBL8050866 0.83 ALDH1A1 (0.45) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8043268 0.83 ALDH1A1 (0.38) MAPTHCAR3ALDH1A1HPGDMEN1

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