SCHEMBL27824665

SCHEMBL27824665

CCCCc1ccc(NC(=O)c2c(C)cc(C)nc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ RAB9A P51151 5/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TRPV1 Q8NER1 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL27803878 0.95 TP53 (0.51) TP53GAARAB9AMAPK1TRPV1
SCHEMBL27803870 0.94 TP53 (0.50) TP53GAARAB9AMAPK1MEN1
SCHEMBL27803802 0.87 KDM4E (0.51) TP53RAB9AMEN1KMT2ANPC1
SCHEMBL27824609 0.85 MTNR1A (0.44) TP53GAARAB9AMAPK1MEN1
SCHEMBL27824722 0.82 TP53 (0.60) TP53GAARAB9AMEN1KMT2A
SCHEMBL28790298 0.82 KDM4E (0.47) TP53RAB9AMEN1KMT2ANPC1
SCHEMBL27803728 0.81 OPRL1 (0.41) TP53GAARAB9AMEN1KMT2A
SCHEMBL27824721 0.81 TP53 (0.52) TP53GAARAB9AMAPK1MEN1
SCHEMBL27824664 0.79 TP53 (0.53) TP53GAARAB9AMAPK1MEN1
SCHEMBL27803794 0.78 TP53 (0.55) TP53GAARAB9ANPC1SMN1; 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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 — — CN disclosed
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