SCHEMBL11756240

SCHEMBL11756240

CCC(S)C(=O)O.Cc1ccc(-c2ocnc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.44
▸ RXRA P19793 3/20 0.43
▸ RXRB P28702 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NR4A2 P43354 2/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 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
SCHEMBL11748651 1.00 MAPK14 (0.44) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11755594 0.96 MEN1 (0.39) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11753195 0.94 MAPK14 (0.45) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11753979 0.88 MAPK14 (0.47) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11749158 0.88 MAPK14 (0.47) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11754984 0.84 ADORA2A (0.49) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11751520 0.83 MAPK14 (0.42) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11751581 0.81 MAPK14 (0.49) MAPK14RXRARXRBMEN1KMT2A
Propionic Acid SCHEMBL28177650 0.78 ADORA2A (0.51) MAPK14RXRARXRBMEN1KMT2A
SCHEMBL11749376 0.77 MAPK14 (0.46) MAPK14MEN1KMT2ANR4A2ADORA2A

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
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