SCHEMBL6205435

SCHEMBL6205435

CCOc1ccc2[nH]cc(C(=O)NC(CC)OCC)c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
KDM4E B2RXH2 5/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HSD17B10 Q99714 5/20 0.58
TP53 P04637 4/20 0.58
USP2 O75604 2/20 0.58
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL6205462 0.92 POLB (0.62) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL6208453 0.90 POLB (0.60) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL7738709 0.87 HSD17B10 (0.73) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL6208099 0.84 POLB (0.66) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL6204487 0.83 GABRA1 (0.51) POLBKDM4EHSD17B10TP53USP2
SCHEMBL7738707 0.81 POLB (0.70) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL7740429 0.80 KDM4E (0.78) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL2010976 0.79 HTT (0.81) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL6204810 0.78 POLB (0.88) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL6204275 0.78 HTT (0.64) POLBKDM4EMEN1KMT2AHSD17B10

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
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed