SCHEMBL3976803

SCHEMBL3976803

NCCNCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LOXL2 Q9Y4K0 2/20 0.52
HRH1 P35367 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 1/20 0.50
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
SLC2A4 P14672 1/20 0.46
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL10734543 0.92 ALDH1A1 (0.56) ALDH1A1LOXL2HRH1CYP3A4CYP2D6
SCHEMBL10737112 0.90 ALDH1A1 (0.58) ALDH1A1LOXL2HRH1CYP3A4CYP2D6
SCHEMBL29444840 0.86 MEN1 (0.56) ALDH1A1LOXL2CYP3A4CYP2D6CYP2C19
SCHEMBL1659835 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL13521675 0.84 MC4R (0.61) ALDH1A1CYP2D6CYP2C19MC4RMC5R
SCHEMBL26781387 0.82 LOXL2 (0.54) ALDH1A1LOXL2HRH1CYP3A4CYP2D6
Gapicomine SCHEMBL1037773 0.81 SLC2A4 (0.61) ALDH1A1LOXL2CYP3A4CYP2D6CYP2C19
SCHEMBL21591483 0.81 ALDH1A1 (0.57) ALDH1A1HRH1CYP3A4CYP2D6CYP2C19
SCHEMBL10354595 0.81 LOXL2 (0.61) ALDH1A1LOXL2HRH1MEN1KMT2A
SCHEMBL13528546 0.79 MAOA (0.60) CYP2D6CYP2C19MC4RMC5RMAOA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112791707-B Preparation method and application of nano carbon dioxide capture agent 北京锦绣新技术发展有限公司 2021-07-20 CN claimed
CN-112791707-A Preparation method and application of nano carbon dioxide capture agent 北京锦绣新技术发展有限公司 2021-05-14 CN claimed
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 US disclosed
EP-4408967-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2024-08-07 EP disclosed
CN-118339274-A Brandy replica 艾娃食品实验室股份有限公司 2024-07-12 CN disclosed
WO-2023055801-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2023-04-06 WO disclosed
CN-113461851-B Application of polymer and photoresist containing polymer 华中科技大学 2022-05-20 CN disclosed
CN-113461851-A Application of polymer and photoresist containing polymer 华中科技大学 2021-10-01 CN disclosed
CN-112791707-B Preparation method and application of nano carbon dioxide capture agent 北京锦绣新技术发展有限公司 2021-07-20 CN disclosed
CN-112791707-A Preparation method and application of nano carbon dioxide capture agent 北京锦绣新技术发展有限公司 2021-05-14 CN disclosed
CN-112707746-A Fly ash CO2Preparation method and application of trapping agent 北京锦绣新技术发展有限公司 2021-04-27 CN disclosed
US-4680294-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-14 US disclosed
US-4647570-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-03-03 US disclosed
EP-0094766-B1 QUINAZOLINE CARDIAC STIMULANTS Pfizer Limited (GB) 1986-12-30 EP disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
EP-0154178-A1 Nitromethylene derivatives, method for their preparation and insecticidal, miticidal and nematicidal agents NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-09-11 EP disclosed
US-4489075-A Cyclic sulfonamidoalkyl substituted 4-piperidinoquinazoline cardiac stimulants PFIZER INC. (US) 1984-12-18 US disclosed
EP-0094766-A2 Quinazoline cardiac stimulants Pfizer Limited (GB) 1983-11-23 EP disclosed
US-4018928-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3932452-A 1-Arylmethyl-2-imidazolidinones MORTON-NORWICH PRODUCTS, INC. (US) 1976-01-13 US disclosed