SCHEMBL29468641

SCHEMBL29468641

Fc1ccc(OCc2ccncc2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
AR P10275 1/20 0.43
MAOB P27338 4/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 2/20 0.42
SLC2A1 P11166 1/20 0.41
F2 P00734 2/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
EPHX2 P34913 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL24746007 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ARMAOBMEN1MAPK1
SCHEMBL30065009 0.83 MAOB (0.57) SMN1; SMN2MAOBMAOACYP1A2CYP2C19
SCHEMBL8251097 0.83 MAOB (0.57) SMN1; SMN2MAOBMAOACYP1A2CYP2C19
SCHEMBL31632684 0.83 MAOB (0.39) MAOBMAOAGRIN2B
SCHEMBL190181 0.82 MAOB (0.55) SMN1; SMN2MAOBMAOAPOLB
SCHEMBL29468740 0.82 HSD17B10 (0.49) MEN1MAPK1KMT2AMAOAMAPT
SCHEMBL16769862 0.78 RXRA (0.39) MAOBMAOAGRIN2B
SCHEMBL29468842 0.78 RXRA (0.44) MAOBMAOAGRIN2B
SCHEMBL12260777 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ARMAOBMEN1MAPK1
SCHEMBL171645 0.77 MRGPRX4 (0.53) SMN1; SMN2ARMAOBMAOASLC2A1

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-4228761-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS University College Cardiff Consultants Limited (GB) 2023-08-23 EP disclosed
WO-2022079432-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-04-21 WO disclosed