SCHEMBL31293841

SCHEMBL31293841

CCOC(=O)c1cnn2cc(CCOC)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 3/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 2/20 0.41
PLAT P00750 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL7101654 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL13522591 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL31293757 0.73 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL404918 0.72 PLAT (0.53) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL1138081 0.70 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL24577356 0.69 MAPT (0.38) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL15882086 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL3510101 0.67 SMN1; SMN2 (0.52) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL7954127 0.67 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9AHPGDHIF1A
SCHEMBL25345519 0.67 NR1H2 (0.50) ALDH1A1KDM4ERAB9AHPGDHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed