SCHEMBL15440689

SCHEMBL15440689

CCCCc1nc(C)nc(CCCC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13531374 0.91 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL12539081 0.91 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL1187437 0.85 HPGD (0.35) NOS2HRH3GABRPGABRDGABRA1
SCHEMBL12539077 0.84 PDK2 (0.37) NOS2ALDH1A1PDK2MAPK1
SCHEMBL12539261 0.80 DHFR (0.38) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL1187263 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL1187583 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL1189782 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL1187104 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDPKM
SCHEMBL1187257 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9445501-B2 Electrically conductive composition, electrically conductive film using the composition and a method of producing the same FUJIFILM CORPORATION (JP) 2016-09-13 US disclosed
US-9356217-B2 Electrically conductive composition, an electrically conductive film using the composition and a method of producing the same FUJIFILM CORPORATION (JP) 2016-05-31 US disclosed
US-20160013392-A1 METHOD OF PRODUCING THERMOELECTRIC CONVERSION ELEMENT AND METHOD OF PREPARATION DISPERSION FOR THERMOELECTRIC CONVERSION LAYER FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-20140251407-A1 THERMOELECTRIC CONVERSION MATERIAL AND A THERMOELECTRIC CONVERSION ELEMENT FUJIFILM CORPORATION (JP) 2014-09-11 US disclosed
US-20140060602-A1 ELECTRICALLY CONDUCTIVE COMPOSITION, AN ELECTRICALLY CONDUCTIVE FILM USING THE COMPOSITION AND A METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
US-20140020939-A1 ELECTRICALLY CONDUCTIVE COMPOSITION, ELECTRICALLY CONDUCTIVE FILM USING THE COMPOSITION AND A METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2014-01-23 US disclosed