SCHEMBL27824664

SCHEMBL27824664

CCCCc1ccc(NC(=O)c2cc(C)c(C)nc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 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
▸ MAPK1 P28482 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 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
SCHEMBL27803877 0.95 SPHK1 (0.50) TP53GAACA12CA1CA2
SCHEMBL27803867 0.94 TP53 (0.47) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL27803801 0.87 OPRL1 (0.51) TP53SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL27824606 0.85 MTNR1A (0.44) TP53GAASMN1; SMN2ALDH1A1MAPK1
SCHEMBL28790294 0.83 FFAR1 (0.49) TP53GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL27824721 0.83 TP53 (0.52) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL27803724 0.81 GAA (0.45) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL27803792 0.79 SPHK1 (0.52) TP53GAACA12CA1CA2
SCHEMBL27824637 0.79 SPHK1 (0.52) TP53GAACA12CA1CA2
SCHEMBL27824665 0.79 TP53 (0.56) 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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