SCHEMBL18794101

SCHEMBL18794101

Bc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.38
▸ ALOX15 P16050 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ ITGA2 P17301 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SDCBP O00560 4/20 0.33
▸ SDC2 P34741 4/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL18766178 0.85 SDCBP (0.42) THRBALOX15MAPTSMN1; SMN2NPC1
SCHEMBL18794099 0.85 SDCBP (0.42) THRBALOX15MAPTSMN1; SMN2NPC1
SCHEMBL18766179 0.85 SDCBP (0.42) THRBALOX15MAPTSMN1; SMN2NPC1
SCHEMBL29676845 0.85 SDCBP (0.42) THRBALOX15MAPTSMN1; SMN2NPC1
SCHEMBL18793576 0.78 AAK1 (0.40) THRBMAPK1
SCHEMBL18793579 0.78 AAK1 (0.40) THRBMAPK1
SCHEMBL18793712 0.78 AAK1 (0.40) THRBMAPK1
SCHEMBL18793939 0.75 MAPK1 (0.47) MAPK1
SCHEMBL31592746 0.75 MAPK1 (0.47) MAPK1
SCHEMBL28526294 0.74 ALDH1A1 (0.35) THRBALDH1A1LMNA

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
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 — — WO disclosed
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