SCHEMBL27916111

SCHEMBL27916111

Cc1cc(C(=O)O)cc(C(=O)O)c1.c1ccc2cc(-n3cccn3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.45
KAT6A Q92794 11/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
KDM5A P29375 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MAPT P10636 1/20 0.42
F10 P00742 1/20 0.41
HDAC4 P56524 1/20 0.39
TPMT P51580 1/20 0.39

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
SCHEMBL27584512 0.87 LMNA (0.48) KAT6AKDM4ELMNAKDM5AKDM2B
SCHEMBL28146277 0.85 MAPT (0.49) KAT6AKDM4ELMNAKDM5AKDM2B
SCHEMBL1645251 0.83 LMNA (0.52) KAT6AKDM4ELMNAKDM5AKDM2B
SCHEMBL20462873 0.81 KAT6A (0.54) KAT6ALMNAKDM5AKDM2BKDM4C
SCHEMBL3665773 0.81 NOTUM (0.53) KDM4ENPC1LMNAMAPT
SCHEMBL27933790 0.79 DGAT1 (0.44) KAT6ALMNAKDM5AKDM2BKDM4C
Naphthalene SCHEMBL27658466 0.76 TPMT (0.67) CTRCNPC1TPMT
SCHEMBL27569832 0.75 NPC1 (0.53) CTRCKDM4ENPC1MAPT
SCHEMBL321724 0.73 LMNA (0.61) KDM4ELMNAKDM5AKDM2BKDM4C
SCHEMBL1285806 0.73 MAPT (0.57) KAT6AKDM4ELMNAMAPTF10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261192-A 5-methyl-1-(naphthalen--yl)-1h-pyrazole derivatives and their use in potentiating the effect of opioid analgesics ESTEVE LABOR DR 2013-08-21 CN disclosed
CN-103038208-A Process for the preparation of 1-aryl-pyrazol-3-one intermediates useful in the synthesis of sigma receptors inhibitors ESTEVE QUIMICA SA 2013-04-10 CN disclosed
CN-102066333-A 5-methyl-1-(naphthalen-2-yl)-1H-pyrazoles useful as sigma receptor inhibitors ESTEVE LABOR DR 2011-05-18 CN disclosed