SCHEMBL10614701

SCHEMBL10614701

COc1c(C)cc(Br)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NQO2 P16083 1/20 0.40
POLB P06746 1/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
HTT P42858 2/20 0.39
MCL1 Q07820 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL152741 0.83 KDM4E (0.58) KDM4EALDH1A1MAPK1SMN1; SMN2NQO2
SCHEMBL146384 0.81 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL7675155 0.80 SMN1; SMN2 (0.54) KDM4EALDH1A1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL31466840 0.78 MCL1 (0.57) KDM4EALDH1A1MAPK1SMN1; SMN2NQO2
SCHEMBL29741516 0.78 KDM4E (0.56) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL3760438 0.78 KDM4E (0.56) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL8818405 0.77 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2NQO2
SCHEMBL9812714 0.76 KDM4E (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL8967325 0.76 PKM (0.55) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL15703117 0.75 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1

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
JP-63310843-A None JP disclosed
JP-S63310843-A 4-HALOGENO-1-LOWER ALKOXY-2-METHYLNAPHTHALENE AND PRODUCTION THEREOF EEZAI KAGAKU KK 1988-12-19 JP disclosed