SCHEMBL6206617

SCHEMBL6206617

CCOc1cccc2c(=O)c(C(=O)NCc3ccc(CN4CCCC4)cc3)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL6203895 0.99 POLB (0.49) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6206418 0.90 HPGD (0.60) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6205610 0.88 HPGD (0.47) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6205058 0.85 POLB (0.62) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6204974 0.85 POLB (0.64) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6205185 0.85 HPGD (0.56) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6208399 0.83 RAB9A (0.58) ALDH1A1HPGDRAB9AHRH3TSHR
SCHEMBL6204872 0.82 POLB (0.47) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6206266 0.82 HPGD (0.63) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6205974 0.81 POLB (0.57) POLBALDH1A1HPGDMEN1KMT2A

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
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed