SCHEMBL31662594

SCHEMBL31662594

COC(=O)c1cc(Oc2ccc(OCCCCl)cc2)n2cncc2c1.COC(=O)c1cc(Oc2ccc(OCCCCl)cc2)n2cncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
ALPL P05186 1/20 0.34
CYP2C9 P11712 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
KLF5 Q13887 1/20 0.34
NPBWR1 P48145 1/20 0.34
CYP2D6 P10635 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
SCHEMBL31662489 0.87 MAPT (0.34) MAPTRAB9AL3MBTL1TDP1LMNA
SCHEMBL31662459 0.87 TBXAS1 (0.40) L3MBTL1TDP1ALDH1A1GAACYP2C9
SCHEMBL31662366 0.84 CA1 (0.42) MAPTRAB9AL3MBTL1TDP1ALDH1A1
SCHEMBL31662321 0.82 ESR2 (0.39) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL31662277 0.82 MAPT (0.38) MAPTRAB9AL3MBTL1TDP1ALDH1A1
SCHEMBL31662491 0.80 HRH3 (0.42) ALDH1A1KDM4E
SCHEMBL31662628 0.79 KCNH2 (0.36) MAPTRAB9AL3MBTL1ALDH1A1MAPK1
SCHEMBL31662394 0.77 CYP11B2 (0.35) LMNASMN1; SMN2GAA
SCHEMBL31662623 0.76 MAPT (0.33) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL31662272 0.75 KCNH2 (0.37) RAB9AL3MBTL1ALDH1A1MAPK1LMNA

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed