SCHEMBL2598199

SCHEMBL2598199

COC(=O)c1cccc([N+](=O)[O-])c1N(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRAF P15056 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL8417432 0.90 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL3974369 0.89 SLC6A3 (0.49) ALDH1A1MAPK1MAPTSLC6A3SLC6A4
SCHEMBL2873565 0.87 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTSLC6A3SLC6A4
SCHEMBL7009875 0.85 SLC6A3 (0.43) ALDH1A1MAPK1MAPTSLC6A3SLC6A4
SCHEMBL2879759 0.84 ALDH1A1 (0.43) ALDH1A1SLC6A3SLC6A4ESR2KDM4E
SCHEMBL3977558 0.81 KDM4E (0.41) ALDH1A1SLC6A3SLC6A4SMN1; SMN2ESR2
SCHEMBL7769467 0.79 GPR119 (0.36) ALDH1A1MAPK1MAPTSLC6A3SLC6A4
SCHEMBL4939408 0.79 LTB4R2 (0.41) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL28784968 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTSLC6A3SMN1; SMN2
SCHEMBL2598198 0.78 BDKRB1 (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 WO claimed
JP-7188148-A None JP disclosed
WO-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 WO disclosed
WO-2011145100-A1 PROCESS FOR PREPARATION OF CANDESART AN CILEXETIL SUBSTANTIALLY FREE OF DES-CANDESARTAN CILEXETIL IMPURITY HETERO RESEARCH FOUNDATION (IN) 2011-11-24 WO disclosed
JP-H07188148-A PRODUCTION OF AMINOBENZOATE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1995-07-25 JP disclosed