SCHEMBL16403946

SCHEMBL16403946

Cc1ccc(C)c(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.50
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ TRPV1 Q8NER1 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16403965 0.89 BLM (0.52) BLMMAPTALDH1A1MEN1KMT2A
SCHEMBL16403955 0.87 NPC1 (0.51) BLMMAPTALDH1A1MEN1KMT2A
SCHEMBL14315440 0.87 BLM (0.51) BLMMAPTALDH1A1MEN1KMT2A
SCHEMBL14325736 0.87 BLM (0.58) BLMMAPTALDH1A1MEN1KMT2A
SCHEMBL14315443 0.85 RAB9A (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16403948 0.84 TP53 (0.49) BLMMAPTALDH1A1MEN1KMT2A
SCHEMBL16403953 0.83 NPC1 (0.47) BLMMAPTALDH1A1MEN1KMT2A
SCHEMBL14325735 0.83 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16403949 0.82 NPC1 (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL16403950 0.81 RAB9A (0.52) MAPTALDH1A1MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
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