SCHEMBL31590865

SCHEMBL31590865

COc1ccc(C(C(N)=O)c2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.43
ADCY1 Q08828 2/20 0.40
CFTR P13569 1/20 0.39
LMNA P02545 3/20 0.39
TDP2 O95551 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
ADCY8 P40145 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
CLK1 P49759 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
SCHEMBL31590912 0.78 SLC2A1 (0.40) SLC2A1CFTRLMNAALDH1A1SMN1; SMN2
SCHEMBL31590663 0.75 SLC2A1 (0.48) SLC2A1ADCY1CFTRLMNATDP2
SCHEMBL30417241 0.75 SLC2A1 (0.48) SLC2A1LMNAALDH1A1KDM4EHTT
SCHEMBL31590936 0.74 MAPT (0.56) SLC2A1ADCY1CFTRLMNATDP2
SCHEMBL31591006 0.73 SLC2A1 (0.41) SLC2A1CFTRLMNAALDH1A1SMN1; SMN2
SCHEMBL31590685 0.72 GLA (0.48) LMNAALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL31590888 0.72 SLC2A1 (0.42) SLC2A1ADCY1CFTRLMNAALDH1A1
SCHEMBL31590578 0.72 SPR (0.41) SLC2A1CFTRLMNAALDH1A1SMN1; SMN2
SCHEMBL31591053 0.71 SLC2A1 (0.42) SLC2A1ADCY1CFTRLMNAALDH1A1
SCHEMBL31591046 0.71 SLC2A1 (0.41) SLC2A1CFTRALDH1A1SMN1; SMN2KDM4E

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