SCHEMBL31037473

SCHEMBL31037473

CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2C#Cc2ccc(F)cc2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2C#Cc2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ S1PR2 O95136 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ GAA P10253 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPY2R P49146 2/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL31037303 0.95 ALOX15 (0.43) ALOX15S1PR2NAMPTGAANPSR1
SCHEMBL31037289 0.86 GPR119 (0.44) S1PR2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL6942730 0.73 GAA (0.69) ALOX15PTPN11NAMPTGAANPSR1
SCHEMBL31037324 0.72 LMNA (0.56) GAANPSR1ALDH1A1MAPTKMT2A
SCHEMBL6942726 0.72 ALDH1A1 (0.49) PTPN11NAMPTGAANPSR1SMARCA2
SCHEMBL31037249 0.71 ALDH1A1 (0.45) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL29665264 0.71 MAPT (0.54) GAASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL594432 0.71 MAPT (0.54) GAASMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL31037489 0.70 MAPT (0.39) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL31037357 0.70 PAX8 (0.42) GAANPSR1ALDH1A1KDM4EUSP2

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-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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