SCHEMBL8043945

SCHEMBL8043945

Cc1csc(Sc2nnnn2-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 19/20 0.57
LMNA P02545 11/20 0.57
HTT P42858 5/20 0.57
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 5/20 0.55
KMT2A Q03164 4/20 0.55
TP53 P04637 3/20 0.55
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 5/20 0.52
GAA P10253 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
PKM P14618 2/20 0.50
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8032815 0.89 SMN1; SMN2 (0.52) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8044963 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8043953 0.86 TDP1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8042731 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8032329 0.85 RECQL (0.53) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8042535 0.84 PTGS2 (0.44) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8046282 0.84 SMN1; SMN2 (0.49) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8032354 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8044812 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL8045341 0.82 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2MAPT

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