SCHEMBL8046340

SCHEMBL8046340

CC(C)(C)c1nc(Sc2nnnn2CC(=O)O)sc1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.32
KDM4C Q9H3R0 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL8042600 0.84 ALDH1A1 (0.35) KMT2AMAPTNPC1GLAMAPK1
SCHEMBL8045327 0.84 ALDH1A1 (0.42) KMT2AMAPTNPC1MAPK1ALDH1A1
SCHEMBL8052246 0.82 KMT2A (0.36) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL8032337 0.80 HTT (0.39) KMT2AMAPTALDH1A1MEN1HTT
SCHEMBL8048338 0.80 ALDH1A1 (0.42) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL8032728 0.78 ALDH1A1 (0.37) KMT2AMAPTNPC1MAPK1ALDH1A1
SCHEMBL8033786 0.78 MAPT (0.39) KMT2AMAPTNPC1GLAMAPK1
SCHEMBL8047970 0.77 HTT (0.39) KMT2AMAPTNPC1ALDH1A1MEN1
SCHEMBL8033860 0.77 DCUN1D1 (0.36)
SCHEMBL8044008 0.77 ALDH1A1 (0.42) KMT2AALDH1A1SMN1; 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