SCHEMBL16613452

SCHEMBL16613452

CC1(C)C=Cc2c(-c3ccccc3)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 3/20 0.41
KMT2A Q03164 5/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
MEN1 O00255 4/20 0.37
OPRK1 P41145 1/20 0.37
PKM P14618 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL16613527 0.97 KDM4E (0.45) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL23070173 0.68 KDM4E (0.65) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL23009764 0.67 KDM4E (0.71) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL12014939 0.66 KDM4E (0.68) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL26350944 0.66 KDM4E (0.68) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL25720193 0.65 KDM4E (0.61) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL23112253 0.65 KDM4E (0.42) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL18942944 0.62 KDM4E (0.47) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL19439399 0.61 KDM4E (0.46) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1573115 0.61 KDM4E (0.61) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed