SCHEMBL31590683

SCHEMBL31590683

Cc1cc(-c2c(O)cccc2C(N)=O)n(-c2nc(C)c(C)c(=O)[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 9/20 0.37
▸ POLB P06746 2/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADCY8 P40145 1/20 0.34
▸ ADCY1 Q08828 1/20 0.34

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
SCHEMBL31590943 0.92 ADCY1 (0.39) SPRPOLBSLC2A1ALDH1A1HPGD
SCHEMBL31590516 0.89 SLC2A1 (0.36) SPRPOLBSLC2A1ALDH1A1KDM4E
SCHEMBL31590499 0.87 SPR (0.39) SPRPOLBSLC2A1CFTRADCY8
SCHEMBL31590549 0.87 SLC2A1 (0.42) SPRSLC2A1ALDH1A1CFTRPARP1
SCHEMBL31590803 0.85 MEN1 (0.37) SPRSLC2A1ALDH1A1KDM4ETSHR
SCHEMBL31590804 0.85 SPR (0.39) SPRPOLBSLC2A1ALDH1A1HPGD
SCHEMBL31590602 0.84 SPR (0.41) SPRPOLBSLC2A1ALDH1A1KDM4E
SCHEMBL31590712 0.84 SPR (0.38) SPRPOLBSLC2A1ALDH1A1KDM4E
SCHEMBL31590833 0.83 KDM1A (0.36) SPRPOLBSLC2A1ALDH1A1KDM4E
SCHEMBL31590631 0.83 SPR (0.38) SPRPOLBSLC2A1ALDH1A1HPGD

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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