SCHEMBL31706770

SCHEMBL31706770

O=C(O)c1cc(C2=CCN(C3COC3)CC2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMO O15229 1/20 0.37
▸ SLC18A3 Q16572 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ TET3 O43151 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ BBOX1 O75936 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ TET2 Q6N021 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ KDM7A Q6ZMT4 1/20 0.36
▸ KDM8 Q8N371 1/20 0.36
▸ TET1 Q8NFU7 1/20 0.36
▸ EGLN2 Q96KS0 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
Lithium Ion SCHEMBL31706302 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SLC18A3PARP1CDK9
Lithium Ion SCHEMBL31705586 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SLC18A3PARP1CDK9
SCHEMBL31705531 0.86 CCNT1 (0.38) ALDH1A1SMN1; SMN2CDK9ATRCCNT1
SCHEMBL31706435 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4E
Lithium Ion SCHEMBL31704782 0.76 TBK1 (0.35) ALDH1A1SMN1; SMN2
Lithium Ion SCHEMBL31705265 0.76 TBK1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL31704665 0.74 TBK1 (0.38) ALDH1A1PARP1
SCHEMBL31706609 0.72 TLR9 (0.45) ALDH1A1SMN1; SMN2KDM4EKDM6BTET3
SCHEMBL31704722 0.71 PIK3CD (0.46) ALDH1A1SMN1; SMN2KMOKDM4EKDM6B
SCHEMBL18764101 0.71 QDPR (0.45) ALDH1A1KDM4EMAPTCDK9CCNT1

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
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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