SCHEMBL29650705

SCHEMBL29650705

Ic1ccc2c(c1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
DYRK1A Q13627 5/20 0.47
DYRK1B Q9Y463 3/20 0.45
DYRK2 Q92630 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
ERN1 O75460 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.41

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
SCHEMBL1007568 1.00 PRKCI (0.52) PRKCIDYRK1ADYRK1BDYRK2HDAC3
SCHEMBL29584645 0.88 DYRK1A (0.46) PRKCIDYRK1ADYRK1BDYRK2HDAC3
SCHEMBL753333 0.88 DYRK1A (0.46) PRKCIDYRK1ADYRK1BDYRK2HDAC3
SCHEMBL1669250 0.84 CHRM2 (0.41) PRKCIDYRK1ADYRK1BDYRK2HDAC3
SCHEMBL29413018 0.79 LMNA (0.48) DYRK1ADYRK1BDYRK2MAPTRAB9A
SCHEMBL10341 0.79 LMNA (0.48) DYRK1ADYRK1BDYRK2MAPTRAB9A
SCHEMBL1352302 0.79 ADRA2A (0.36) PRKCIDYRK1APKMADRA2APNMT
SCHEMBL13182219 0.76 NPC1 (0.44) MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL379230 0.74 PRKCI (0.56) PRKCIDYRK1ADYRK1BDYRK2HDAC3
SCHEMBL3871171 0.74 MAPT (0.54) PRKCIDYRK1ADYRK1BDYRK2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307453-A Synthesis method of alkylaryl sulfoxide 南京工业大学 2024-07-09 CN disclosed
CN-110964023-B Fused tetracyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2022-12-27 CN disclosed
CN-114702395-A Triarylamine compound and organic electroluminescent device comprising the same 上海钥熠电子科技有限公司 2022-07-05 CN disclosed