SCHEMBL1440740

SCHEMBL1440740

CC(C)NC(=O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.57
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ KDM4E B2RXH2 6/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.53
▸ CCR1 P32246 1/20 0.53
▸ TSHR P16473 4/20 0.50
▸ PADI4 Q9UM07 1/20 0.50
▸ CCKAR P32238 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ DAO P14920 1/20 0.49
▸ DDO Q99489 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL34468764 0.86 SMYD3 (0.56) SMYD3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL34468812 0.86 KDM4E (0.62) SMYD3KDM4EKMT2ACCR1HSD17B10
SCHEMBL34468797 0.86 KDM4E (0.62) SMYD3KDM4EKMT2ACCR1HSD17B10
SCHEMBL34468866 0.86 KDM4E (0.62) SMYD3KDM4EKMT2ACCR1HSD17B10
SCHEMBL34468801 0.85 DRD2 (0.55) SMYD3KDM4ESMN1; SMN2CCR1TSHR
SCHEMBL34468783 0.84 HPGD (0.58) SMYD3KDM4ESMN1; SMN2CCR1TSHR
SCHEMBL19414710 0.83 SMYD3 (0.58) SMYD3KDM4ESMN1; SMN2CCR1TSHR
SCHEMBL34468770 0.83 CCR1 (0.62) SMYD3KDM4EMEN1KMT2ACCR1
SCHEMBL34468859 0.83 SMYD3 (0.52) SMYD3CCR1DAODDO
SCHEMBL34468937 0.83 PADI4 (0.57) SMYD3KDM4ESMN1; SMN2PADI4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507225-A1 L -DIHYDRO-2-OXOQUINOLINE COMPOUNDS A 5-HT4 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-10-10 — — EP claimed
WO-2011030349-A1 L -DIHYDRO-2-OXOQUINOLINE COMPOUNDS A 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-03-17 — — WO claimed
EP-2507225-A1 L -DIHYDRO-2-OXOQUINOLINE COMPOUNDS A 5-HT4 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-10-10 — — EP disclosed
WO-2011030349-A1 L -DIHYDRO-2-OXOQUINOLINE COMPOUNDS A 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-03-17 — — WO disclosed
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