SCHEMBL4844394

SCHEMBL4844394

Cc1ccnc(-c2ncccc2-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 3/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MITF O75030 1/20 0.42
POLB P06746 2/20 0.42
METAP1 P53582 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42

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
SCHEMBL28370642 0.83 CYP2A6 (0.50) CCR1CCR5CCR8CYP2A6KDM4E
Ethane SCHEMBL28441646 0.82 KDM4E (0.52) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL30031 0.82 KDM4E (0.56) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL2138825 0.80 KDM4E (0.42) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL7553180 0.80 CCR1 (0.51) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL4755586 0.80 KDM1A (0.48) CCR1CCR5CCR8KDM4ENPC1
SCHEMBL16241819 0.80 KDM4E (0.54) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL78140 0.80 KDM4E (0.54) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL933820 0.80 KDM4E (0.54) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL1652383 0.80 KDM4E (0.54) CCR1CCR5CCR8CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420058-B2 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2008-09-02 US claimed
US-20070120121-A1 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-05-31 US claimed
US-20160225471-A1 FUNCTIONAL CONDUCTING POLYMERS FOR REDOX MEDIATED SEPARATIONS OF F-ELEMENTS UNIV TEXAS (US) 2016-08-04 US disclosed
US-20160225472-A1 POLYMERIC CHELATORS FOR METAL ION EXTRACTION AND SEPARATION UNIV TEXAS (US) 2016-08-04 US disclosed
WO-2015076911-A2 FUNCTIONAL CONDUCTING POLYMERS FOR REDOX MEDIATED SEPARATIONS OF F-ELEMENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-28 WO disclosed
US-7420058-B2 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2008-09-02 US disclosed
US-20070120121-A1 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-05-31 US disclosed