SCHEMBL12475339

SCHEMBL12475339

CCN(CC)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TRPM8 Q7Z2W7 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL12475500 0.86 SMN1; SMN2 (0.50) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475343 0.82 RAB9A (0.65) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475304 0.81 NPC1 (0.52) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475713 0.81 TRPM8 (0.70) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475734 0.80 SMN1; SMN2 (0.51) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475648 0.79 SMN1; SMN2 (0.50) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475719 0.79 RAB9A (0.50) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12475559 0.77 MAPT (0.48) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12476059 0.76 MAPT (0.56) MAPTMEN1KMT2AALDH1A1TRPM8
SCHEMBL12476061 0.76 MAPT (0.56) MAPTMEN1KMT2AALDH1A1TRPM8

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
WO-2012109573-A1 SUBSTITUTED THIAZOLES FOR USE AS ANTIVIRAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2012-08-16 WO disclosed