SCHEMBL4542181

SCHEMBL4542181

O=C(O)c1cccn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
CCR9 P51686 2/20 0.35

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
SCHEMBL4541749 0.86 MAPT (0.47) MAPTNPSR1L3MBTL1POLBAPEX1
SCHEMBL4540543 0.82 MAPT (0.66) MAPTNPSR1L3MBTL1CYP1A2CYP3A4
SCHEMBL4543962 0.79 MAPT (0.47) MAPTNPSR1L3MBTL1POLBTDP1
SCHEMBL951402 0.79 POLB (0.47) MAPTNPSR1L3MBTL1POLBAPEX1
SCHEMBL29797530 0.78 POLB (0.46) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL4540024 0.77 POLB (0.53) L3MBTL1POLBAPEX1TDP1CYP2C9
SCHEMBL29797625 0.76 L3MBTL1 (0.44) MAPTNPSR1L3MBTL1POLBAPEX1
SCHEMBL3477123 0.76 L3MBTL1 (0.44) MAPTNPSR1L3MBTL1POLBAPEX1
SCHEMBL4538521 0.75 MAPT (0.35) MAPTNPSR1L3MBTL1POLBCYP1A2
SCHEMBL4565788 0.75 KMT2A (0.46) MAPTNPSR1CYP1A2CYP3A4CYP2C9

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed