SCHEMBL5591940

SCHEMBL5591940

O=C(c1ccccc1)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PRNP P04156 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CHKA P35790 1/20 0.48
NR4A2 P43354 2/20 0.47
SOS2 Q07890 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
TGFBR1 P36897 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9228099 0.91 MAPT (0.52) KDM4EPRNPRXFP1NR4A2SOS2
SCHEMBL5591919 0.86 NR4A2 (0.49) KDM4EPRNPRXFP1NR4A2SOS2
SCHEMBL5762904 0.83 CYP1A2 (0.58) KDM4EPRNPRXFP1NR4A2SOS2
Hydrochloric Acid SCHEMBL9229003 0.81 CYP1A2 (0.56) KDM4EPRNPRXFP1NR4A2SOS2
SCHEMBL9033128 0.81 NPC1 (0.50) KMT2AMEN1L3MBTL1ALDH1A1HTT
SCHEMBL17151063 0.81 ALDH1A1 (0.48) CYP1A2CYP2D6SRCTGFBR1SMN1; SMN2
SCHEMBL9228994 0.80 NR4A2 (0.54) KDM4EPRNPRXFP1NR4A2SOS2
SCHEMBL13210167 0.78 LMNA (0.54) KDM4EPRNPRXFP1NR4A2SOS2
SCHEMBL2825389 0.78 ALDH1A1 (0.60) CYP1A2CYP2D6SMN1; SMN2KMT2AMAPT
SCHEMBL28409135 0.76 L3MBTL1 (0.49) KDM4ESRCTGFBR1KMT2AMAPT

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
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed
EP-0669320-A2 Benzoylquinoiline derivatives NIHON BAYER AGROCHEM K.K. (JP) 1995-08-30 EP disclosed