SCHEMBL31635848

SCHEMBL31635848

Nc1nc2c(c(=O)[nH]1)N1C(=O)OCC1CN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 11/20 1.00
▸ NOS3 P29474 2/20 1.00
▸ NOS2 P35228 2/20 1.00
▸ MTHFD2 P13995 2/20 0.39
▸ MTHFD1 P11586 1/20 0.39
▸ USP2 O75604 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PAH P00439 1/20 0.34
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL21068021 1.00 NOS1 (1.00) NOS1NOS3NOS2MTHFD2MTHFD1
SCHEMBL30032784 0.65 NOS1 (0.51) NOS1NOS3NOS2USP2CASP7
SCHEMBL19204413 0.64 NOS1 (0.47) NOS1NOS3NOS2USP2CASP7
SCHEMBL29754917 0.62 NOS1 (0.54) NOS1NOS3NOS2USP2CASP7
SCHEMBL10131812 0.60 NOS1 (0.53) NOS1NOS3NOS2MTHFD2MTHFD1
SCHEMBL584982 0.59 NOS1 (0.64) NOS1NOS3NOS2USP2CASP7
SCHEMBL14470998 0.59 NOS1 (0.50) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL16741181 0.58 NOS1 (0.62) NOS1NOS3NOS2USP2CASP7
SCHEMBL2044797 0.57 NOS1 (0.78) NOS1NOS3NOS2USP2CASP7
SCHEMBL18833772 0.57 NOS1 (0.51) NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4728058-A1 METHODS AND COMPOSITIONS Imperial College Innovations Limited (GB) 2026-04-22 — — EP disclosed
US-20250212503-A1 INTEGRATED CIRCUIT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-06-26 — — US disclosed
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