SCHEMBL11750960

SCHEMBL11750960

CC(C)(S)C#N.c1ccc(-c2ncoc2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.43
▸ ADORA2A P29274 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL11752620 0.82 MAPK14 (0.49) MAPK14ADORA2A
SCHEMBL11756258 0.82 MAPK14 (0.46) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL11751610 0.82 MAPK14 (0.43) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL11756122 0.82 ADORA2A (0.49) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL926216 0.82 MAPK14 (0.55) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL11755223 0.81 ADORA2A (0.48) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL6481054 0.80 MAPK14 (0.58) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL11750864 0.79 ADORA2A (0.54) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL11752502 0.78 MAPK14 (0.42) MAPK14ADORA2AKDM4EMEN1ALDH1A1
SCHEMBL11753280 0.77 MAPK14 (0.45) MAPK14ADORA2AKDM4EMEN1ALDH1A1

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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