SCHEMBL31019262

SCHEMBL31019262

CCOC(=O)c1cnc(SC)nc1/C=C/N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ SYK P43405 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FOS P01100 1/20 0.47
▸ JUN P05412 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL2324922 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL2324613 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL28882232 0.87 CSNK1D (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12279519 0.87 CSNK1D (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL14637930 0.84 MEN1 (0.54) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL14633349 0.83 MEN1 (0.58) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL17948454 0.82 MEN1 (0.57) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL15206750 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL15206749 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL27892479 0.78 MAPT (0.40) ALDH1A1MEN1KMT2APOLBMAPT

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
CN-115003671-B JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2024-08-06 — — CN disclosed
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