SCHEMBL8047415

SCHEMBL8047415

Cc1cc(-n2nnnc2Sc2nc(Br)c(Br)s2)sc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 4/20 0.33
TP53 P04637 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
KDM1A O60341 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 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
SCHEMBL8042815 0.86 ALDH1A1 (0.31) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8045769 0.81 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8044269 0.80 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8045604 0.79 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8033225 0.78 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8045496 0.77 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8042997 0.77 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8034482 0.76 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8043940 0.74 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8052220 0.74 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HTTTP53

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