SCHEMBL7760618

SCHEMBL7760618

Cl[V](Cl)(Cl)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
MAOA P21397 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
DRD2 P14416 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
SCHEMBL7536527 0.85 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.79 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.79 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7545143 0.79 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.77 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL22263591 0.74 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL3284763 0.74 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29394156 0.74 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30130790 0.74 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6904888 0.74 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B

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-0778291-B1 Catalyst and process for producing conjugated diene polymer UBE INDUSTRIES (JP) 2001-03-28 EP disclosed
US-6071845-A OBTAINED BY CONTACTING A COMPOUND OF A TRANSITION METAL OF THE GROUP V OF THE PERIODIC TABLE WITH AN IONIC COMPOUND COMPRISING A NON-COORDINATING ANION AND A CATION AND AN ALUMINOXANE UBE INDUSTRIES, LTD. (JP) 2000-06-06 US disclosed
US-5744666-A Process for preparing an alkynyl fulvene group containing compound and said compound PHILLIPS PETROLEUM COMPANY (US) 1998-04-28 US disclosed
US-5728908-A Process for preparing a bridged ligand and said bridged ligand PHILLIPS PETROLEUM COMPANY (US) 1998-03-17 US disclosed
EP-0778291-A1 Catalyst and process for producing conjugated diene polymer UBE INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed
US-5631203-A Metallocene compounds and preparation thereof containing terminal alkynes PHILLIPS PETROLEUM COMPANY (US) 1997-05-20 US disclosed