SCHEMBL8160950

SCHEMBL8160950

CP(c1ccccn1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 3/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
TDP1 Q9NUW8 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL9332718 0.86 KDM4E (0.63) KDM4EGAALMNACCR1CCR5
SCHEMBL492201 0.84 KDM4E (0.61) KDM4EGAALMNACCR1CCR5
SCHEMBL8153468 0.84
SCHEMBL617390 0.78 KDM4E (0.73) KDM4EGAALMNACCR1CCR5
SCHEMBL19803916 0.77 KDM4E (0.47) KDM4EGAALMNACCR1CCR5
SCHEMBL29096269 0.76 KDM4E (0.70) KDM4EGAALMNACCR1CCR5
SCHEMBL29096270 0.76 KDM4E (0.70) KDM4EGAALMNACCR1CCR5
SCHEMBL492334 0.75 KDM4E (0.45) KDM4EGAALMNACCR1CCR5
SCHEMBL1400875 0.74
SCHEMBL21609885 0.74 KDM4E (0.54) KDM4EGAALMNACCR1CCR5

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386834-B1 CARBONYLATION CATALYST SYSTEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-03 EP claimed
EP-0386834-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-09-12 EP claimed
EP-0696474-B1 Catalytic systems and methods for carbonylation DAICEL CHEM (JP) 2000-05-17 EP disclosed
EP-0948999-A1 Catalytic systems and method for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-13 EP disclosed
US-5869738-A OF AN OLEFIN WITH CARBON MONOXIDE PRODUCING AN ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US disclosed
US-5731255-A GROUP VIII METAL SOURCE, LIGAND, ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0696474-A2 Catalytic systems and methods for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-14 EP disclosed
EP-0441447-B1 Carbonylation catalyst process SHELL INT RESEARCH (NL) 1994-11-30 EP disclosed
EP-0441446-B1 Carbonylation catalyst system SHELL INT RESEARCH (NL) 1994-05-04 EP disclosed
EP-0441445-B1 Preparation of amides SHELL INT RESEARCH (NL) 1994-05-04 EP disclosed
EP-0386834-B1 CARBONYLATION CATALYST SYSTEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-03 EP disclosed
US-5128475-A PREPARATION OF AMIDES SHELL OIL COMPANY (US) 1992-07-07 US disclosed
US-5124300-A Group 8 metal, aromatic phosphine, proton source, tertiary amine SHELL OIL COMPANY (US) 1992-06-23 US disclosed
EP-0489472-A2 Carbonylation process and catalyst composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-06-10 EP disclosed
US-5103043-A CARBONYLATION CATALYST SYSTEM SHELL OIL COMPANY (US) 1992-04-07 US disclosed
EP-0441446-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441447-A1 Carbonylation catalyst process SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441445-A2 Preparation of amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
US-5028576-A Carbonylation catalyst system SHELL OIL COMPANY (US) 1991-07-02 US disclosed
EP-0386834-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-09-12 EP disclosed