SCHEMBL29690673

SCHEMBL29690673

Clc1cccc2sc(C3OCCO3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
PDE10A Q9Y233 1/20 0.50
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMB8 P28062 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.43
SENP7 Q9BQF6 2/20 0.39
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 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
SCHEMBL29690517 0.79 LMNA (0.44) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL29690686 0.76 LMNA (0.51) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL1747928 0.74 LMNA (0.66) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL28216138 0.73 KMT2A (0.60) LMNAPDE10AMAPTKMT2AALDH1A1
Nitrogen SCHEMBL27703821 0.71 LMNA (0.61) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL7519836 0.71 LMNA (0.45) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL24213033 0.70 LMNA (0.44) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL27481149 0.70 SMN1; SMN2 (0.54) LMNAPDE10AMAPTKMT2AALDH1A1
SCHEMBL30731280 0.69 NPC1 (0.47) LMNAMAPTKMT2AALDH1A1GAA
SCHEMBL2433144 0.69 LMNA (0.63) LMNAPDE10AMAPTKMT2AALDH1A1

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
CN-114605349-A Method for synthesizing photocatalytic alkyl-substituted benzothiazole derivative 浙江工业大学 2022-06-10 CN disclosed