SCHEMBL9799505

SCHEMBL9799505

O=c1c2c(c3cccnc3n1-c1cccc(Cl)c1)N(c1cccc(Cl)c1)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.40
PDE4A P27815 6/20 0.39
PDE4B Q07343 5/20 0.39
PDE4D Q08499 5/20 0.39
PDE4C Q08493 4/20 0.39
ALOX5 P09917 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
FEN1 P39748 1/20 0.38
EPHB4 P54760 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
SCHEMBL9799482 0.86 MAPT (0.43) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL9799632 0.85 FEN1 (0.50) MAPTHPGDCYP2C19ALDH1A1PDE4A
SCHEMBL9799483 0.84 PDE4A (0.46) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL9535601 0.82 MAPT (0.50) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL9799534 0.79 MAPT (0.50) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL10379090 0.78 MAPT (0.46) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL9629146 0.78 MAPT (0.49) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL9799715 0.77 ALDH1A1 (0.47) KMT2ACYP1A2MAPTCYP2C19ALDH1A1
SCHEMBL10377111 0.76 MAPT (0.47) MEN1KMT2ACYP1A2MAPTHPGD
SCHEMBL9628920 0.76 MAPT (0.46) MEN1KMT2ACYP1A2MAPTHPGD

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
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