SCHEMBL4263523

SCHEMBL4263523

CCCCc1ccccn1.COC(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NAAA Q02083 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAPK1 P28482 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
SCHEMBL64052 0.80 HRH1 (0.60) HRH1CYP1A2CYP2C19ALDH1A1NAAA
SCHEMBL29582320 0.80 HRH1 (0.60) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Hydrochloric Acid SCHEMBL30395582 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Bromide SCHEMBL28377567 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Iodide SCHEMBL27863788 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Ammonia Solution, Strong SCHEMBL6014459 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Hydrochloric Acid SCHEMBL30887885 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
SCHEMBL28143532 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Hydrochloric Acid SCHEMBL29039292 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA
Hydrochloric Acid SCHEMBL28142755 0.78 HRH1 (0.58) HRH1CYP1A2CYP2C19ALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606845-A4 PHOTOVOLTAIC CELLS UTILIZING MESH ELECTRODES KONARKA TECHNOLOGIES INC (US) 2009-05-27 EP disclosed
EP-1606845-A2 PHOTOVOLTAIC CELLS UTILIZING MESH ELECTRODES Konarka Technologies, Inc. (US) 2005-12-21 EP disclosed
WO-2004086464-A2 PHOTOVOLTAIC CELLS UTILIZING MESH ELECTRODES KONARKA TECHNOLOGIES, INC. (US) 2004-10-07 WO disclosed