SCHEMBL30697074

SCHEMBL30697074

COC(=O)c1ncccc1Cn1nc([N+](=O)[O-])cc1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ POLB P06746 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30697146 0.83 MPO (0.46) MEN1KMT2ARXFP1CYP1A2CYP2C19
SCHEMBL30697035 0.76 PTGER1 (0.56) CYP1A2CYP2C19
SCHEMBL29276700 0.76 ALDH1A1 (0.51) MEN1KMT2ARXFP1CYP1A2CYP2C19
SCHEMBL1520180 0.71 HTT (0.64) MEN1KMT2ARXFP1CYP1A2CYP2C19
SCHEMBL1008523 0.71 HTT (0.68) MEN1KMT2ARXFP1CYP1A2CYP2C19
SCHEMBL535668 0.70 L3MBTL1 (0.58) KMT2ACYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL2760500 0.70 HTT (0.70) MEN1KMT2ARXFP1CYP1A2CYP2C19
SCHEMBL21678221 0.70 L3MBTL1 (0.54) KMT2ACYP1A2ALDH1A1HTTPOLB
SCHEMBL28677368 0.69 L3MBTL1 (0.57) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL21245001 0.69 ALDH1A1 (0.64) MEN1KMT2ACYP1A2CYP2C19ALDH1A1

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
CN-119451961-A Carboxamide derivative with RSK inhibition effect, pharmaceutical composition containing carboxamide derivative and application of carboxamide derivative 广州科恩泰生物医药科技有限公司 2025-02-14 — — CN disclosed
CN-117186098-A Carboxamide derivative with RSK inhibition effect, pharmaceutical composition containing carboxamide derivative and application of carboxamide derivative 上海科恩泰生物医药科技有限公司 2023-12-08 — — CN disclosed
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