SCHEMBL9314550

SCHEMBL9314550

CC(C#N)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KCNA5 P22460 1/20 0.43
GAA P10253 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL4835362 0.80 CFTR (0.48) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9959832 0.80 CFTR (0.48) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL7021489 0.79 CYP19A1 (0.55) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL27176403 0.77 CFTR (0.50) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10446411 0.76 CFTR (0.58) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10236 0.76
SCHEMBL30391667 0.76
SCHEMBL5931850 0.76 CYP19A1 (0.51) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL29860023 0.76 CYP19A1 (0.51) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6216972 0.76 CYP19A1 (0.51) CYP19A1CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113873989-B Synergistic anti-inflammatory compositions 宝洁公司 2024-05-28 CN disclosed
WO-2024102986-A2 SARS-COV-2 MPRO INHIBITORS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2024-05-16 WO disclosed
CN-113873986-B Improving stability of zinc pyrithione in oxidizing environments such as scalp sebum fluids 宝洁公司 2024-04-26 CN disclosed
CN-117460810-A Transparent soap bar 宝洁公司 2024-01-26 CN disclosed
CN-112689498-B Personal cleansing compositions 宝洁公司 2023-10-10 CN disclosed
CN-112118824-B Synergistic antioxidant composition 宝洁公司 2023-05-23 CN disclosed
CN-115867356-A Synergistic anti-inflammatory compositions 宝洁公司 2023-03-28 CN disclosed
CN-110831567-B Hair care composition comprising 2-pyridinol-N-oxide material and an iron chelator 宝洁公司 2023-01-24 CN disclosed
CN-109069389-B Method of treating hair disorders with N-hydroxypyridones 宝洁公司 2022-01-21 CN disclosed
CN-113905715-A Light enhancement processing method 宝洁公司 2022-01-07 CN disclosed
CN-103254190-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-08-21 CN disclosed
CN-103214484-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP A DELAWARE CORP 2013-07-24 CN disclosed
CN-103214483-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-07-24 CN disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
CN-101448826-A Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors INCYTE CORP (US) 2009-06-03 CN disclosed
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
US-5180827-A Fungicide Intermediates RHONE-POULENC AGROCHIMIE (FR) 1993-01-19 US disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed