SCHEMBL8159573

SCHEMBL8159573

CCP(c1ccccn1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL27594860 0.88 KDM4E (0.57) KDM4EGAALMNACYP1A2POLB
SCHEMBL8160677 0.82 KDM4E (0.48) KDM4EGAALMNACYP1A2POLB
SCHEMBL3115391 0.81 KDM4E (0.52) KDM4EGAALMNACYP1A2POLB
SCHEMBL8146536 0.79 KDM4E (0.42) KDM4EGAALMNACYP1A2POLB
SCHEMBL3431093 0.77 KDM4E (0.48) KDM4EGAALMNACYP1A2POLB
SCHEMBL24535397 0.77 KDM4E (0.40) KDM4EGAACYP1A2ALDH1A1
SCHEMBL9443662 0.77 KDM4E (0.53) KDM4EGAALMNACYP1A2POLB
SCHEMBL10343487 0.76 KDM4E (0.47) KDM4EGAALMNACYP1A2POLB
SCHEMBL10343301 0.76 KDM4E (0.47) KDM4EGAALMNACYP1A2POLB
SCHEMBL10383767 0.76 KDM4E (0.47) KDM4EGAALMNACYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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