SCHEMBL31547876

SCHEMBL31547876

ClCCN1CCCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KEAP1 Q14145 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 6/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
HPGD P15428 1/20 0.37
DUSP3 P51452 1/20 0.37
USP2 O75604 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 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
SCHEMBL27683729 0.91 HRH3 (0.48) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL40041 0.91
Hydrochloric Acid SCHEMBL9703482 0.88 ALDH1A1 (0.50) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL11275 0.88 ALDH1A1 (0.50) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL1448214 0.86 ALDH1A1 (0.48) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL28756894 0.86 GLA (0.48) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL26995684 0.82
SCHEMBL13019 0.80 KDM4E (0.56) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
SCHEMBL14385507 0.80 KDM4E (0.56) GLAALDH1A1SMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL8950153 0.78 GLA (0.39) GLAALDH1A1SMN1; SMN2KEAP1KDM4E

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-119661538-A Pyrazolo [3,4-d ] pyrimidine-4-ketone derivative and application thereof 中国科学院精密测量科学与技术创新研究院 2025-03-21 CN disclosed