SCHEMBL6509933

SCHEMBL6509933

C#Cc1ccc(C#C)c(-c2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 8/20 0.44
GABRA2 P47869 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRA5 P31644 2/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
TP53 P04637 3/20 0.37

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
SCHEMBL6769901 0.80 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL704826 0.78 RAB9A (0.46) LMNACCR1CCR5CCR8BLM
SCHEMBL18411457 0.77 METAP2 (0.54) KDM4EMETAP1HTTALDH1A1MAPT
SCHEMBL18333589 0.76 GRM5 (0.40) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL31463173 0.75 KDM4E (0.54) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL7964599 0.75 KDM4E (0.54) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL4906246 0.73 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4905631 0.72 GRM5 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4075034 0.72 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31310378 0.72 CCR1 (0.58) GABRA3GABRA2GABRA1GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 US disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO disclosed