SCHEMBL14965705

SCHEMBL14965705

N#Cc1ccc(Oc2ccc([C@H](O)CO)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.57
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
IL18 Q14116 1/20 0.46
CYP19A1 P11511 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL11980418 0.89 CA12 (0.44) SCN9AKDM4EMAPTCYP19A1GRIN1
SCHEMBL28239877 0.89 CA12 (0.44) SCN9AKDM4EMAPTCYP19A1GRIN1
SCHEMBL13174142 0.89 CA12 (0.44) SCN9AKDM4EMAPTCYP19A1GRIN1
SCHEMBL11581783 0.85 CYP3A4 (0.44) SCN9AMEN1KMT2A
SCHEMBL15981026 0.79 PARP15 (0.50) SCN9APARP15PARP10PARP2KDM4E
SCHEMBL7041250 0.77 PARP15 (0.63) SCN9APARP15PARP10PARP2KDM4E
SCHEMBL8852392 0.77 PARP15 (0.63) SCN9APARP15PARP10PARP2KDM4E
SCHEMBL3233441 0.74 LTA4H (0.59) SCN9APARP15PARP10PARP2KDM4E
SCHEMBL5827966 0.74 PARP15 (0.49) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL13891122 0.74 CA12 (0.41) KDM4EMAPTCYP19A1GRIN1GRIN2B

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
WO-2013072758-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-23 WO disclosed