SCHEMBL8043646

SCHEMBL8043646

Clc1cnc(Sc2nnnn2-c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.54
LMNA P02545 9/20 0.54
MAPT P10636 8/20 0.54
HTT P42858 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
KMT2A Q03164 4/20 0.54
TP53 P04637 3/20 0.54
MAPK1 P28482 3/20 0.54
HSD17B10 Q99714 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 6/20 0.49
HPGD P15428 4/20 0.49
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 3/20 0.47
USP2 O75604 1/20 0.46
ALPG P10696 1/20 0.46
HKDC1 Q2TB90 1/20 0.45
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL8044847 0.89 SMN1; SMN2 (0.45) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8045990 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8042845 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8046903 0.85 HPGD (0.50) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8044972 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8042672 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8044841 0.84 KDM4E (0.49) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8045773 0.83 EP300 (0.45) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8048205 0.82 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL8032741 0.82 PTGS2 (0.48) ALDH1A1LMNAMAPTHTTSMN1; 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