SCHEMBL9799534

SCHEMBL9799534

O=c1c2c(c3cccnc3n1-c1cccc(Cl)c1)NCC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PDE4A P27815 5/20 0.40
PDE4B Q07343 4/20 0.40
PDE4D Q08499 4/20 0.40
PDE4C Q08493 3/20 0.40
ALOX5 P09917 3/20 0.39
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTR6 P50406 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL9799616 0.87 PDE4A (0.53) CYP2C19KDM4EPDE4APDE4BPDE4D
SCHEMBL9535601 0.82 MAPT (0.50) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9799505 0.79 MEN1 (0.47) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL10379090 0.78 MAPT (0.46) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9629146 0.78 MAPT (0.49) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL10377111 0.76 MAPT (0.47) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9628920 0.76 MAPT (0.46) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9132455 0.75 MAPT (0.48) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9799482 0.75 MAPT (0.43) MAPTHPGDMEN1CYP1A2CYP2C19
SCHEMBL9132456 0.74 MAPT (0.47) MAPTHPGDMEN1CYP1A2CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996212-A Antiinflammatory and anti-hyperproliferative compounds SCHERING CORPORATION (US) 1991-02-26 US claimed
US-4996212-A Antiinflammatory and anti-hyperproliferative compounds SCHERING CORPORATION (US) 1991-02-26 US disclosed
US-4859669-A Antiinflammatory and anti-hyperproliferative naphthyridin-4-ones SCHERING CORPORATION (US) 1989-08-22 US disclosed