SCHEMBL846972

SCHEMBL846972

Cc1ccc(CCC(=O)c2ccc(C)nc2Nc2ccccc2)c(S)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SYK P43405 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 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
SCHEMBL847744 0.80 STAT6 (0.39) MAPK8SYKEGFRZAP70STAT6
SCHEMBL27800295 0.79 MAPT (0.42) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL14617173 0.79 GAA (0.46) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL848924 0.77 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL846971 0.77 STAT6 (0.38) SMN1; SMN2MAPK8SYKEGFRZAP70
SCHEMBL846959 0.76 FFAR1 (0.40) SMN1; SMN2KMT2AMAPK8ALDH1A1SYK
SCHEMBL8171612 0.75 DHODH (0.57) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL847717 0.74 KMT2A (0.42) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL846982 0.74 MAPT (0.44) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL848421 0.73 FAAH (0.41) MEN1KMT2AHPGDNPC1RAB9A

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
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 — — EP disclosed
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