SCHEMBL8050384

SCHEMBL8050384

Brc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 9/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
TSHR P16473 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL8046358 0.89 LMNA (0.39) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8047340 0.86 ALDH1A1 (0.40) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8032798 0.83 KDM4E (0.32) HTTMAPTKDM4E
SCHEMBL8044696 0.82 HTT (0.40) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8049863 0.82 MAPT (0.43) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8044812 0.82 ALDH1A1 (0.52) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8046294 0.81 UBE2M (0.45) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8043087 0.81 ALDH1A1 (0.36) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8710052 0.81 LMNA (0.41) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8044629 0.80 ALDH1A1 (0.39) HTTRAB9AALDH1A1LMNASMN1; 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