SCHEMBL539616

SCHEMBL539616

Cc1nc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 5/20 0.44
CYP3A4 P08684 3/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44

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
SCHEMBL30875970 1.00 NOS3 (0.48) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL7006193 0.88 CTSB (0.43) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL29392605 0.80 MERTK (0.51) MAPTTSHRCYP3A4TDP1HSD17B10
SCHEMBL11198744 0.80 MAPT (0.45) ALDH1A1MAPTTSHRCYP3A4TDP1
SCHEMBL381701 0.80 MERTK (0.51) MAPTTSHRCYP3A4TDP1HSD17B10
SCHEMBL671296 0.79 TDP1 (0.45) ALDH1A1MAPTTSHRCYP3A4RECQL
SCHEMBL29391396 0.79 TDP1 (0.45) ALDH1A1MAPTTSHRCYP3A4RECQL
SCHEMBL1135629 0.79 CTSB (0.54) ALDH1A1MAPTTSHRCYP3A4TDP1
SCHEMBL30810188 0.79 CTSB (0.54) ALDH1A1MAPTTSHRCYP3A4TDP1
SCHEMBL27809340 0.77 TSHR (0.41) ALDH1A1MAPTTSHRCYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102775404-B Method for synthesizing 5-chloro-4-azaindole CHEMFUTURE PHARMATECH JIANGSU LTD 2015-06-03 CN claimed
CN-102775404-A Method for synthesizing 5-chloro-4-azaindole CHEMFUTURE PHARMATECH JIANGSU LTD 2012-11-14 CN claimed
EP-0916669-B1 Processes and intermediates for the preparation of Pyrrolo(3,2-b)pyridine LILLY CO ELI (US) 2003-04-09 EP claimed
CN-1278814-A Pyrrolo [3,2-b] pyridine processes and intermediates LILLY CO ELI (US) 2001-01-03 CN claimed
US-6150525-A Pyrrolo [3,2-b]pyridine processes and intermediates ELI LILLY AND COMPANY (US) 2000-11-21 US claimed
WO-1999025708-A1 PYRROLO[3,2-b]PYRIDINE PROCESSES AND INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-05-27 WO claimed
EP-0916669-A2 Processes and intermediates for the preparation of Pyrrolo(3,2-b)pyridine ELI LILLY AND COMPANY (US) 1999-05-19 EP claimed
EP-4687881-A2 HETEROARYL ANTIDEGRADANTS Flexsys IP Holdings, LLC (US) 2026-02-11 EP disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
CN-115572285-B OCT4 high-selectivity activator 武汉睿健医药科技有限公司 2024-10-29 CN disclosed
WO-2024206786-A2 HETEROARYL ANTIDEGRADANTS FLEXSYS AMERICA L.P. (US) 2024-10-03 WO disclosed
WO-2024001967-A1 IMIDAZONAPHTHYRIDINE COMPOUND WITH AFFINITY WITH TAU PROTEIN, METHOD FOR PREPARING SAME, AND USE THEREOF 北京师范大学 2024-01-04 WO disclosed
CN-115322197-B Imidazonaphthyridine compound with affinity with Tau protein, and preparation method and application thereof 北京师范大学 2023-09-29 CN disclosed
EP-0399731-B1 Azaindenes ZENECA LTD (GB) 1993-12-08 EP disclosed
WO-1993023399-A1 6-AMINO SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
US-5223499-A Hypotensive agents MERCK & CO., INC. (US) 1993-06-29 US disclosed
EP-0399731-A1 Azaindenes ZENECA LIMITED (GB) 1990-11-28 EP disclosed
EP-0137524-B1 HAIR DYEING COMPOSITIONS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1988-01-20 EP disclosed
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 US disclosed
EP-0137524-A1 Hair dyeing compositions RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-04-17 EP disclosed