SCHEMBL8044786

SCHEMBL8044786

CSc1ccc(-n2nnnc2Sc2nc(Br)c(Br)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.42
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HTT P42858 5/20 0.42
TP53 P04637 5/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 4/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 6/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 6/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 1/20 0.35
PKM P14618 2/20 0.35
GAA P10253 2/20 0.34
HKDC1 Q2TB90 1/20 0.34
JAK2 O60674 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL8043940 0.87 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8043610 0.86 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8052220 0.85 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8048499 0.84 KDM4E (0.49) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8042640 0.84 MAPT (0.44) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8034305 0.81 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8042219 0.80 PTGS2 (0.44) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8047577 0.80 SMN1; SMN2 (0.45) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8048209 0.79 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8042731 0.78 ALDH1A1 (0.41) 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