SCHEMBL9370679

SCHEMBL9370679

COc1ccc2ncccc2c1N(C(N)=O)c1c(-c2ccccc2Cl)c2cc(C(C)C)ccc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTT P42858 2/20 0.33
TNF P01375 2/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9375543 0.88 AXL (0.36) HTTKDM4EMAPTTSHR
SCHEMBL9372394 0.88 KDM4E (0.31) KDM4E
SCHEMBL8538103 0.81 HTR2C (0.39) AKR1C3AKR1C2LIPGKDM4EBRD4
SCHEMBL9374984 0.79 TNKS (0.35) KDM4EMAPTKMT2AMEN1
SCHEMBL8539254 0.72 KDM4E (0.35) KDM4EBRD4MAPTLMNA
SCHEMBL8545213 0.71 CYP1A2 (0.42) KDM4EBRD4MAPTCYP1A2CYP3A4
SCHEMBL8540727 0.70 HTR2C (0.40) HTTKDM4EMAPTCYP1A2CYP3A4
SCHEMBL27368420 0.70 KDM4E (0.39) LIPGKDM4ERXFP1NPC1RAB9A
SCHEMBL8541594 0.69 KDM4E (0.44) KDM4EL3MBTL1MAPTKMT2AMEN1
SCHEMBL9358984 0.69 KDM4E (0.41) AKR1C3AKR1C2KDM4EL3MBTL1KMT2A

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
EP-0623112-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1994-11-09 EP disclosed