SCHEMBL9569910

SCHEMBL9569910

O=C1[N]N=C(Cc2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
CALM1 P0DP23 1/20 0.39
MAOB P27338 3/20 0.39
PNP P00491 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
ELANE P08246 2/20 0.38
ALPL P05186 1/20 0.36
DAO P14920 1/20 0.35
SORT1 Q99523 1/20 0.35
CTSG P08311 1/20 0.35
MAOA P21397 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18887420 0.74 ALDH1A1 (0.45) CYP1A2CYP2C9MAPK1TDP1
SCHEMBL6115343 0.70 GPR84 (0.58)
SCHEMBL2339223 0.69 CALM1 (0.42) PTPN1CALM1MAOBCYP2C9ELANE
SCHEMBL10733624 0.67 CALM1 (0.50) PTPN1CALM1MAOBCYP1A2CYP2C9
SCHEMBL2072302 0.66 CDC25B (0.39) MAOBCYP1A2CYP2C9MAPK1HIF1A
SCHEMBL3698764 0.66 MEN1 (0.36) MAOBMAPK1MAOATDP1
SCHEMBL3082719 0.64 MAPT (0.42) CYP1A2MAPK1TDP1L3MBTL1
SCHEMBL6491993 0.64 CALM1 (0.41) CALM1MAOBCYP1A2CYP2C9MAPK1
SCHEMBL17727973 0.63 TDP1 (0.52) PTPN1CALM1MAOBCYP1A2CYP2C9
SCHEMBL13265639 0.62 CALM1 (0.38) PTPN1CALM1MAOBCYP1A2ALPL

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-0564805-A1 (4-benzylphthalazin-1(2H)-on-2-yl)aminocarboxylic acids having antiallergic/antihistaminic activity and process for their production ASTA Medica Aktiengesellschaft (DE) 1993-10-13 EP disclosed