SCHEMBL16066271

SCHEMBL16066271

c1ccc2c(c1)nc1c3ccccc3c3c4c(ccc3n21)[nH]c1ccccc14

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 8/20 0.43
HPGD P15428 6/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 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
SCHEMBL17996899 0.92 KDM4E (0.43) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL16066258 0.86 KDM4E (0.44) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL16871423 0.86 KDM4E (0.49) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL16066292 0.84 GABRP (0.45) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL16066239 0.83 CYP1A2 (0.45) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL23948674 0.81 KDM4E (0.36) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL23948819 0.81 KDM4E (0.37) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL23948675 0.81 KDM4E (0.37) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL23948652 0.80 GABRP (0.35) KDM4EMAPTLMNAPOLBHSD17B10
SCHEMBL16066246 0.78 TOP2A (0.48) KDM4EMAPTLMNAPOLBHSD17B10

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed