SCHEMBL10787660

SCHEMBL10787660

COc1cc(N)c(C)cc1NC1=CC(=N)C(C)=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ KDR P35968 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ SHMT2 P34897 1/20 0.30

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
SCHEMBL11383936 0.83 MEN1 (0.39) MEN1APAF1CASP3KMT2APAX8
SCHEMBL17745050 0.75 CASP3 (0.37) MEN1APAF1CASP3KMT2APAX8
SCHEMBL15039274 0.73 KDR (0.38) MEN1APAF1CASP3KMT2APAX8
SCHEMBL15020242 0.71 KDR (0.34) MEN1APAF1CASP3KMT2APAX8
Acetic Acid SCHEMBL11844797 0.65 KDM4E (0.33) GAAKDM4E
SCHEMBL6815196 0.64 MEN1 (0.51) MEN1KMT2AGAAKDM4E
SCHEMBL11789530 0.64 BRD4 (0.47) MEN1KMT2APOLBGAAGFER
SCHEMBL11787303 0.63 POLB (0.37) MEN1KMT2APOLBGAAGFER
SCHEMBL1225409 0.62 POLB (0.61) MEN1KMT2APOLBGAAGFER
SCHEMBL29666518 0.62 POLB (0.61) MEN1KMT2APOLBGAAGFER

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-4675130-A HAIR DYES L'OREAL (FR) 1987-06-23 — — US disclosed
US-4246181-A HAIR DYE L'OREAL (FR) 1981-01-20 — — US disclosed
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