SCHEMBL17478778

SCHEMBL17478778

COC(=O)c1cccc(C2CCN(Cl)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
AXL P30530 1/20 0.40
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
MAP4K4 O95819 2/20 0.38
KDM5A P29375 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37

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
SCHEMBL17478650 0.84 KDM4E (0.44) CNR2MAP4K4KDM5A
SCHEMBL412412 0.83 CNR2 (0.49) CNR2CYP1A2NPC1TP53CYP3A4
SCHEMBL23530104 0.82 CNR2 (0.54) CNR2CYP1A2NPC1TP53CYP3A4
SCHEMBL411915 0.79 CNR2 (0.45) CNR2CYP1A2NPC1TP53CYP3A4
SCHEMBL13490509 0.78 BCHE (0.51) CYP1A2CYP3A4CYP2C9DRD2DRD4
SCHEMBL410932 0.76 CNR2 (0.49) CNR2CYP1A2NPC1TP53CYP3A4
SCHEMBL1557415 0.76 TRPV3 (0.48) CNR2MAPT
SCHEMBL26428540 0.75 CNR2 (0.45) CNR2CYP1A2NPC1TP53CYP3A4
SCHEMBL22235457 0.74 CNR2 (0.50) CNR2CYP1A2NPC1TP53CYP3A4
SCHEMBL31284724 0.74 CNR2 (0.44) CNR2CYP1A2NPC1TP53CYP3A4

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
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 WO disclosed