SCHEMBL31558474

SCHEMBL31558474

NCc1[nH]c2ccncc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.51
▸ ACHE P22303 4/20 0.44
▸ PARP1 P09874 2/20 0.40
▸ CHUK O15111 3/20 0.39
▸ FEN1 P39748 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ MAOA P21397 1/20 0.37

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
SCHEMBL23478373 0.79 HTR6 (0.51) HTR6ACHEPARP1CHUKFEN1
SCHEMBL29642993 0.70 ACHE (0.78) ACHEPARP1CHUKFEN1KDM4E
SCHEMBL972999 0.70 ACHE (0.78) ACHEPARP1CHUKFEN1KDM4E
Trifluoroacetic Acid SCHEMBL23452232 0.69 HTR6 (0.42) HTR6ACHEPARP1CHUKFEN1
SCHEMBL4753505 0.65 KDM5A (0.57) PARP1
SCHEMBL13708855 0.65 PARP1 (0.54) ACHEPARP1FEN1KDM4E
SCHEMBL3115940 0.64 AURKA (0.48) ACHEPARP1CHUKAURKAMAPT
SCHEMBL31875233 0.64 CACNA1H (0.44) HTR6ACHEIDO1AOC1AOC3
SCHEMBL4072911 0.64 CACNA1H (0.44) HTR6ACHEIDO1AOC1AOC3
SCHEMBL30619662 0.63 HTR6 (0.68) HTR6ACHEKDM4EALDH1A1SMN1; SMN2

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-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 — — CN disclosed
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