SCHEMBL30981106

SCHEMBL30981106

O=C(NC1CCN(CC2[C@H]3CNC[C@@H]23)CC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ EPHX1 P07099 1/20 0.50
▸ DPP4 P27487 5/20 0.49
▸ DPP7 Q9UHL4 5/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ TGM2 P21980 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ F13A1 P00488 1/20 0.46
▸ TGM1 P22735 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL25935100 0.89 ALDH1A1 (0.57) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30981171 0.83 ALDH1A1 (0.54) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL5122686 0.81 TGM2 (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30981269 0.80 HSD11B1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30289124 0.80 ALDH1A1 (0.64) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL1006562 0.79 ALDH1A1 (0.65) ALDH1A1GAACTSLCTSBCTSK
Hydrochloric Acid SCHEMBL25328114 0.78 ALDH1A1 (0.63) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL19015180 0.78 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL17438421 0.78 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL17438422 0.78 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1MEN1

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-4652161-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS Uppthera, Inc. (KR) 2025-11-26 — — EP disclosed
WO-2024155112-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS UPPTHERA, INC. (KR) 2024-07-25 — — WO disclosed
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