SCHEMBL7771307

SCHEMBL7771307

[Ni+2].[O-]P([O-])Oc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 2/20 0.37
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL593487 0.76 LMNA (0.47) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL7771301 0.75 ACHE (0.46) LMNAMEN1KMT2ACA1CA2
SCHEMBL7771346 0.75 CA1 (0.55) CYP2A6MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL11098692 0.74 LMNA (0.44) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL7771305 0.74 LMNA (0.44) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL7767098 0.74 LTA4H (0.43) MAOBMAOAKMT2ACA1CA2
SCHEMBL11048181 0.74 LMNA (0.44) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL594537 0.72 LMNA (0.42) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL5503603 0.72 LMNA (0.42) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL11470964 0.70 LMNA (0.40) LMNACYP2A6MAOBMAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417325-B1 PROCESS FOR PRODUCING NORCAMPHANEDICARBONITRILES MITSUI CHEMICALS INC (JP) 2001-07-11 EP claimed
US-5169971-A Hydrocyanation; zero-valent nickel complex catalyst and a lewis acid; efficient; high selectivity MITSUI TOATSU CHEMICALS, INC. (JP) 1992-12-08 US claimed
EP-0417325-A1 PROCESS FOR PRODUCING NORCAMPHANEDICARBONITRILES MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-03-20 EP claimed
EP-0438638-B1 Process for producing norcamphane dicarbonitriles MITSUI CHEMICALS INC (JP) 2000-07-05 EP disclosed
US-5087722-A Catalytic hydrocyanation of bicyclo(2.2.1)-5-heptene-2-carbonitrile MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 US disclosed
EP-0438638-A1 Process for producing norcamphane dicarbonitriles MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-31 EP disclosed