SCHEMBL31590776

SCHEMBL31590776

Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc(C)c(C)c(=O)[nH]2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 8/20 0.55
▸ ADCY8 P40145 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ NPSR1 Q6W5P4 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HTT P42858 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTR2B P41595 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ NTRK1 P04629 1/20 0.52
▸ SLC2A1 P11166 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CFTR P13569 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL23249699 0.88 SLC2A1 (0.67) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL31590957 0.88 ADCY1 (0.52) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL31590897 0.88 ADCY1 (0.55) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL31591041 0.83 ADCY1 (0.47) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL31590765 0.82 MEN1 (0.58) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL23249474 0.81 ADCY1 (0.52) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL31590900 0.80 KCNJ6 (0.62) ADCY1ADCY8ALDH1A1NPSR1MEN1
SCHEMBL31591016 0.78 KMT2A (0.58) ADCY1ADCY8NPSR1MEN1KMT2A
SCHEMBL23249634 0.78 SLC2A1 (0.68) ADCY1ADCY8HTR2BNTRK1SLC2A1
SCHEMBL23259374 0.77 SLC2A1 (0.67) ADCY1ADCY8ALDH1A1NPSR1MEN1

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-120040420-A Heterocyclic-pyrazole amine derivatives, preparation method thereof and application thereof in resisting tubercle bacillus infection 中国医学科学院医药生物技术研究所 2025-05-27 — — CN disclosed
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