SCHEMBL31590602

SCHEMBL31590602

Cc1cc(-c2ccccc2C(N)=O)n(-c2nc(C)c(C)c(=O)[nH]2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 9/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ ADCY1 Q08828 3/20 0.37
▸ ADCY8 P40145 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL31590804 0.93 SPR (0.39) SPRPOLBALDH1A1HPGDSLC2A1
SCHEMBL31590631 0.90 SPR (0.38) SPRPOLBALDH1A1HPGDSLC2A1
SCHEMBL31590942 0.88 SPR (0.38) SPRPOLBALDH1A1HPGDSLC2A1
SCHEMBL31590570 0.86 L3MBTL1 (0.39) SPRPOLBALDH1A1SLC2A1ADCY1
SCHEMBL31590943 0.86 ADCY1 (0.39) SPRPOLBALDH1A1HPGDSLC2A1
SCHEMBL31590663 0.85 SLC2A1 (0.48) SPRALDH1A1SLC2A1CFTRADCY1
SCHEMBL31590840 0.85 SLC2A1 (0.40) SPRPOLBSLC2A1ADCY1ADCY8
SCHEMBL31590683 0.84 SPR (0.37) SPRPOLBALDH1A1HPGDSLC2A1
SCHEMBL31590712 0.83 SPR (0.38) SPRPOLBALDH1A1HPGDSLC2A1
SCHEMBL31590836 0.81 SPR (0.41) SPRPOLBALDH1A1HPGDSLC2A1

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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