SCHEMBL7545143

SCHEMBL7545143

Cl[V](Cl)(Nc1ccccc1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDGFRB P09619 1/20 0.38
KDR P35968 3/20 0.36
CASP6 P55212 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
EGFR P00533 2/20 0.34
CNR1 P21554 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL7760618 0.79 PNMT (0.49) PNMTNPC1RAB9AKDRHTR7
SCHEMBL7536527 0.76 PNMT (0.46) PNMTNPC1RAB9AKDRCASP6
SCHEMBL524602 0.70 PNMT (0.63) PNMTNPC1RAB9AKDRCASP6
SCHEMBL30103334 0.70 PNMT (0.63) PNMTNPC1RAB9AKDRCASP6
SCHEMBL68635 0.69 NPC1 (0.55) PNMTNPC1RAB9APDGFRBKDR
SCHEMBL2877998 0.68 PNMT (0.61) PNMTNPC1RAB9AKDRCASP6
SCHEMBL6628576 0.67 CYP2C9 (0.56) NPC1RAB9AHTR7HTR2BHSP90AA1
SCHEMBL22263591 0.66 PNMT (0.57) PNMTNPC1RAB9AKDRCASP6
SCHEMBL70992 0.65 PNMT (0.53) PNMTNPC1RAB9AKDRHTR7
SCHEMBL29401802 0.65 PNMT (0.53) PNMTNPC1RAB9AKDRHTR7

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-0841375-B1 Impact-resistant polystyrene resin composition UBE INDUSTRIES (JP) 2002-05-22 EP disclosed
US-5981667-A CONTAINING DISPERSED PARTICLES OF HIGH-CIS HIGH-VINYL POLYBUTADIENE COMPRISING FROM 65 TO 95% CIS-1,4-STRUCTURES AND FROM 30 TO 4% 1,2-STRUCTURES UBE INDUSTRIES, LTD. (JP) 1999-11-09 US disclosed
EP-0841375-A1 Impact-resistant polystyrene resin composition UBE INDUSTRIES, LTD. (JP) 1998-05-13 EP disclosed