SCHEMBL11834747

SCHEMBL11834747

O=c1[nH]c(-c2ccco2)ccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
PDPK1 O15530 1/20 0.38
GLA P06280 4/20 0.38
RECQL P46063 3/20 0.38
BLM P54132 3/20 0.38
PKM P14618 1/20 0.38
POLB P06746 4/20 0.38
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
APEX1 P27695 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL11834751 0.78 CTSV (0.44) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL11840115 0.72 PNP (0.41) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL11835107 0.71 KDM4E (0.58) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL3836372 0.71 KDM4E (0.50) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL27575117 0.68 NOTUM (0.48) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL11835467 0.68 PIM1 (0.44) MEN1KMT2AKDM4EMAPTGLA
SCHEMBL12427052 0.67 KDM4E (0.53) MEN1KMT2AKDM4EMAPTGLA
SCHEMBL11843665 0.67 GCGR (0.49) KDM4EMAPTPDPK1BLMCDK1
SCHEMBL11847958 0.67 LMNA (0.49) KMT2AKDM4EMAPTBLMPOLB
SCHEMBL8592254 0.66 PDPK1 (0.42) CTSVCTSLMEN1KMT2AKDM4E

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-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 US disclosed