SCHEMBL11748397

SCHEMBL11748397

COc1ccc(-c2sc(Cl)nc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 8/20 0.58
MAPT P10636 6/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
KDM4E B2RXH2 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX5 P09917 2/20 0.55
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
PTGS2 P35354 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
HTT P42858 2/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
S1PR1 P21453 1/20 0.48

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
SCHEMBL11750227 1.00 LMNA (0.59) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL5530041 0.94 ALDH1A1 (0.61) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11751772 0.89 ALOX5 (0.58) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11751223 0.89 ALOX5 (0.58) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11753179 0.87 ALDH1A1 (0.60) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL7054803 0.86 ALDH1A1 (0.54) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11755156 0.85 LMNA (0.48) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11751969 0.85 LMNA (0.48) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL11753624 0.85 ADORA2A (0.50) LMNAALDH1A1MAPTKMT2ATDP1
SCHEMBL11750818 0.85 NFKB1 (0.50) LMNAALDH1A1MAPTKMT2ATDP1

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
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed