SCHEMBL11754470

SCHEMBL11754470

CN(C)c1ccc(-c2nc(S)oc2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.41
▸ APP P05067 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RAD51 Q06609 1/20 0.37
▸ PGR P06401 1/20 0.36

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
SCHEMBL11752319 0.94 NOX1 (0.48) MAPK14MAPTSMN1; SMN2NOX1ALDH1A1
SCHEMBL11749619 0.94 NOX1 (0.48) MAPK14MAPTSMN1; SMN2NOX1ALDH1A1
SCHEMBL11754011 0.92 APP (0.40) MAPK14APPMAPTALDH1A1HSD17B10
SCHEMBL11755414 0.92 APP (0.40) MAPK14APPMAPTALDH1A1HSD17B10
SCHEMBL11749454 0.83 RXRA (0.44) MAPTSMN1; SMN2NOX1ALDH1A1HSD17B10
SCHEMBL11750003 0.82 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL11752407 0.81 NR4A2 (0.48) MAPTSMN1; SMN2NOX1ALDH1A1HSD17B10
SCHEMBL11755115 0.80 RXRA (0.46) MAPK14MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11758179 0.79 MAPK14 (0.41) MAPK14APPMAPTSMN1; SMN2NOX1
SCHEMBL11751140 0.77 KMT2A (0.40) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E

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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