SCHEMBL10528532

SCHEMBL10528532

COc1cccc(C(=O)C[n+]2cc[nH]c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46

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
Bromide SCHEMBL10526754 0.99 MAPT (0.51) MAPTTDP1KDM4EGLACES2
SCHEMBL10526705 0.87 KMT2A (0.43) MAPTKDM4ENPC1RAB9APOLB
Bromide SCHEMBL10528580 0.86 KMT2A (0.43) MAPTKDM4EGLANPC1RAB9A
SCHEMBL10531137 0.82 KMT2A (0.47) MAPTTDP1KDM4EHDAC8HDAC6
Bromide SCHEMBL10529155 0.81 KMT2A (0.49) MAPTTDP1KDM4EHDAC8HDAC6
Hydrochloric Acid SCHEMBL8660681 0.81 TDP1 (0.56) MAPTTDP1KDM4EGLACES2
SCHEMBL4394987 0.78 KMT2A (0.54) MAPTTDP1KDM4EGLACES1
SCHEMBL10531115 0.78 MAPT (0.48) MAPTTDP1KDM4EGLACES2
SCHEMBL10528540 0.78 MEN1 (0.48) MAPTKDM4EGLAHSD11B1POLB
Hydrochloric Acid SCHEMBL10528599 0.77 NPC1 (0.48) MAPTTDP1KDM4EGLACES2

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
EP-0182533-B1 3-(2-ARYL-2-OXOETHYL)-IMIDAZOLIUM SALTS AS HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1989-09-20 — — EP claimed
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