SCHEMBL8207199

SCHEMBL8207199

N#Cc1ccc(OP(c2ccccc2)c2ccccc2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.53
▸ MAOA P21397 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ IMPDH1 P20839 1/20 0.35

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
SCHEMBL21241253 0.82 CYP19A1 (0.50) MAOBMAOAALDH1A1HPGDCYP19A1
SCHEMBL17189423 0.74 CYP3A4 (0.43) MAOAKDM4EGAA
SCHEMBL9747026 0.74 ALDH1A1 (0.65) MAOBMAOAALDH1A1HPGDCYP19A1
SCHEMBL523446 0.74 ALDH1A1 (0.65) MAOBMAOAALDH1A1HPGDCYP19A1
SCHEMBL9745473 0.74 ALDH1A1 (0.65) MAOBMAOAALDH1A1HPGDCYP19A1
SCHEMBL21241012 0.73 ALDH1A1 (0.56) MAOBMAOAALDH1A1HPGDCYP19A1
SCHEMBL1465968 0.73 TDP1 (0.38) MAOBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11701826 0.72 CYP2A6 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2MEN1
SCHEMBL29019220 0.72 CYP1A2 (0.43) KDM4EMAPK1SMN1; SMN2MEN1GAA
SCHEMBL5143806 0.71 ALDH1A1 (0.61) MAOBMAOAALDH1A1HPGDCYP19A1

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
EP-0712904-B1 Phtalocyanines substituted with groups containing phosphorus CIBA SC HOLDING AG (CH) 2000-04-26 — — EP disclosed
US-5641879-A Phthalocyanines substituted by phosphorus-containing groups CIBA-GEIGY CORPORATION (US) 1997-06-24 — — US disclosed
EP-0712904-A1 Phtalocyanines substituted with groups containing phosphorus CIBA-GEIGY AG (CH) 1996-05-22 — — EP disclosed
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