SCHEMBL9727141

SCHEMBL9727141

CN1CCc2c1n(-c1cccc(Cl)c1)c1ncccc1c2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
BCL2A1 Q16548 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD1 P21728 3/20 0.37
DRD5 P21918 3/20 0.37
TNKS O95271 1/20 0.37
PKD1 P98161 1/20 0.37
MAP3K14 Q99558 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
SCHEMBL9726994 0.87 PDE4A (0.47) CYP1A2CYP2C19ALDH1A1PDE4BPDE4D
SCHEMBL9727191 0.85 PDE4B (0.41) MAPTCYP1A2TP53PDE4BPDE4D
SCHEMBL6009928 0.79 MAPT (0.49) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL30438257 0.79 MAPT (0.49) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL9628931 0.76 MAPT (0.46) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL9132031 0.76 MAPT (0.44) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL9132455 0.76 MAPT (0.48) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL9131645 0.75 MAPT (0.43) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL9129169 0.75 BAZ2B (0.45) MAPTMEN1CYP1A2HPGDCYP2C19
SCHEMBL9799505 0.75 MEN1 (0.47) MAPTMEN1CYP1A2HPGDCYP2C19

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
US-5126352-A Antiallergy, antiinflammatory, antiulcer, hypotensive, antibody inhibitors SCHERING CORPORATION (US) 1992-06-30 US claimed