SCHEMBL10731024

SCHEMBL10731024

COC(=O)c1ccccc1-c1nc2cc(Cl)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.61
SENP7 Q9BQF6 3/20 0.61
KDM4E B2RXH2 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 1/20 0.61
SENP8 Q96LD8 1/20 0.61
AGPAT2 O15120 3/20 0.57
MAPT P10636 7/20 0.56
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL9270726 0.86 AGPAT2 (0.57) CASP3SENP7KDM4ESENP6NPC1
SCHEMBL10728044 0.86 MAPT (0.68) CASP3SENP7KDM4ESENP6NPC1
SCHEMBL29931200 0.84 MAPT (0.63) KDM4ENPC1RAB9AALDH1A1AGPAT2
SCHEMBL694337 0.84 MAPT (0.63) KDM4ENPC1RAB9AALDH1A1AGPAT2
SCHEMBL10730003 0.83 PTPN2 (0.51) KDM4ENPC1RAB9AALDH1A1AGPAT2
SCHEMBL29469495 0.82 AGPAT2 (0.57) CASP3SENP7KDM4ESENP6NPC1
SCHEMBL22660247 0.82 AGPAT2 (0.57) CASP3SENP7KDM4ESENP6NPC1
SCHEMBL9267939 0.82 PTPN2 (0.48) CASP3SENP7KDM4ESENP6NPC1
SCHEMBL10751610 0.81 KDR (0.51) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL22674259 0.81 AGPAT2 (0.53) CASP3SENP7KDM4ESENP6NPC1

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
US-4659360-A HERBICIDES FMC CORPORATION (US) 1987-04-21 US disclosed