SCHEMBL30402574

SCHEMBL30402574

Cc1ccc2c(Cc3cccc(Cl)c3)nccc2c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ EGFR P00533 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL25376248 1.00 CSNK2A2 (0.40) CSNK2A2CSNK2BLMNAEGFRIGF1R
SCHEMBL25373797 0.86 ALDH1A1 (0.41) LMNAALDH1A1TSHRTDP1KMT2A
SCHEMBL30402455 0.84 GPR52 (0.39) MAPTCYP1A2CYP2C9CYP2C19RPS6KB1
SCHEMBL25374145 0.84 GPR52 (0.39) MAPTCYP1A2CYP2C9CYP2C19RPS6KB1
SCHEMBL25377855 0.80 S1PR4 (0.38) LMNAALDH1A1TSHRKMT2AMAPT
SCHEMBL30401336 0.80 CSNK2A2 (0.41) CSNK2A2CSNK2BLMNAEGFRIGF1R
SCHEMBL25374531 0.80 CSNK2A2 (0.41) CSNK2A2CSNK2BLMNAEGFRIGF1R
SCHEMBL25372994 0.79 TSHR (0.42) LMNAALDH1A1TSHRTDP1KMT2A
SCHEMBL25375892 0.79 ALDH1A1 (0.41) LMNAALDH1A1TSHRTDP1KMT2A
SCHEMBL24399705 0.79 CSNK2A2 (0.40) CSNK2A2CSNK2BLMNAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 — — CN disclosed
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