SCHEMBL11755156

SCHEMBL11755156

COc1ccc(-c2nc(Cl)sc2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
PTGS2 P35354 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX5 P09917 2/20 0.43
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.42
APP P05067 1/20 0.41
BACE1 P56817 1/20 0.41
TEK Q02763 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL11748397 0.85 LMNA (0.59) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL11750227 0.85 LMNA (0.59) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL5530041 0.85 ALDH1A1 (0.61) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL11747674 0.84 PTGS2 (0.49) ALDH1A1KDM4EMAPTPTGS2KMT2A
SCHEMBL11751772 0.81 ALOX5 (0.58) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL11751223 0.81 ALOX5 (0.58) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL11752695 0.81 KDM4E (0.47) ALDH1A1KDM4EMAPTPTGS2KMT2A
SCHEMBL11755609 0.78 HPGD (0.42) ALDH1A1KDM4EPTGS2L3MBTL1TDP1
SCHEMBL7054803 0.78 ALDH1A1 (0.54) LMNAALDH1A1KDM4EMAPTPTGS2
SCHEMBL11751969 0.78 LMNA (0.48) LMNAALDH1A1KDM4EMAPTL3MBTL1

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