SCHEMBL7834036

SCHEMBL7834036

Cc1ccnc(NCc2ccccc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.50
KDM5B Q9UGL1 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ASPH Q12797 1/20 0.49
KDM8 Q8N371 1/20 0.49
PPARG P37231 3/20 0.48
PSMB1 P20618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOS2 P35228 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL16991862 0.85 KDM4E (0.56) KDM4EASPHKDM8
SCHEMBL20715524 0.77 NOS2 (0.50) KDM4EPSMB1NOS2ALDH1A1HPGD
SCHEMBL9488233 0.77 DHODH (0.55) SMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL20715522 0.77 BDKRB1 (0.51) BDKRB1KDM5BKDM4EASPHKDM8
SCHEMBL10488645 0.75 SMN1; SMN2 (0.73) KDM5BPPARGSMN1; SMN2ALDH1A1ALOX15
SCHEMBL11563231 0.74 EGFR (0.54) KDM4EPSMB1SMN1; SMN2NOS2ALDH1A1
SCHEMBL8009873 0.74 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL6168145 0.74 KDM5B (0.66) KDM5BKDM4EASPHKDM8ALDH1A1
SCHEMBL2475860 0.71 CYP1A2 (0.49) KDM5BKDM4EPSMB1SMN1; SMN2ALDH1A1
SCHEMBL1585596 0.71 KLKB1 (0.51) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784622-B1 NAPHTHYRIDINONE DERIVATIVES KNOLL GMBH (DE) 2001-11-21 EP disclosed
US-5854257-A Naphthyridinone derivatives KNOLL AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
EP-0784622-A1 NAPHTHYRIDINONE DERIVATIVES Knoll AG (DE) 1997-07-23 EP disclosed
WO-1996011199-A1 NAPHTHYRIDINONE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-18 WO disclosed