SCHEMBL6692558

SCHEMBL6692558

Clc1cccc2sc([AsH2])nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
PDE10A Q9Y233 1/20 0.61
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PSMB8 P28062 1/20 0.56
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.46
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
F2RL3 Q96RI0 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3096248 0.80 LMNA (0.61) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL1747928 0.79 LMNA (0.66) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL2433144 0.78 LMNA (0.63) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL30189774 0.76 LMNA (0.61) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL21395484 0.76 LMNA (0.61) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL103727 0.76 LMNA (1.00) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL2615997 0.76 LMNA (0.61) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL3424292 0.76 LMNA (0.61) LMNAPDE10AALDH1A1MAPTHPGD
SCHEMBL5339377 0.76 ALDH1A1 (0.61) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL5820155 0.76 PDPK1 (0.61) LMNAPDE10AALDH1A1MAPTHPGD

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-2004078115-A2 BENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF ROTAVIRUS INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA, INCORPORATED (US) 2004-09-16 WO disclosed