SCHEMBL28195343

SCHEMBL28195343

Nc1ccc2oc(-c3ccccc3)c(I)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
MAPT P10636 6/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 4/20 0.51
MAPK1 P28482 2/20 0.46
DDR2 Q16832 1/20 0.45
GFER P55789 1/20 0.44
ADORA3 P0DMS8 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.38
CA12 O43570 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
SCHEMBL9952260 0.87 KDM4E (0.50) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL28195347 0.78 CYP3A4 (0.53) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL5130608 0.75 MAPT (0.70) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL20960989 0.74 NPC1 (0.67) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL28273072 0.73 KMT2A (0.46) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL17786512 0.73 KDM4E (0.67) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL17786415 0.72 HSD17B10 (0.74) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL16332352 0.71 ALDH1A1 (0.51) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL17786462 0.70 KDM4E (0.70) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL24182224 0.70 NPC1 (0.66) KDM4EMAPTALDH1A1RAB9ANPC1

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
CN-107635558-A Bu Luomo domain inhibitor 赛尔基因昆蒂赛尔研究公司 2018-01-26 CN disclosed