SCHEMBL5591876

SCHEMBL5591876

N#CC(c1ccc(F)cc1)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.46
SOS2 Q07890 1/20 0.46
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALPG P10696 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCR1 P32246 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5591810 0.87 CHKA (0.45) NR4A2SOS2CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL8067745 0.79 NR4A2 (0.43) NR4A2SOS2CYP1A2L3MBTL1LMNA
SCHEMBL11276573 0.72 ALDH1A1 (0.59) CYP1A2L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL8593707 0.70 NR4A2 (0.41) NR4A2SOS2CYP1A2ALDH1A1MAPT
SCHEMBL24420728 0.70 NR4A2 (0.58) NR4A2SOS2CYP1A2L3MBTL1LMNA
SCHEMBL21160763 0.70 NR4A2 (0.56) NR4A2SOS2CYP1A2L3MBTL1LMNA
SCHEMBL9431519 0.69 SLC6A4 (0.48) NR4A2SOS2CYP1A2LMNASMN1; SMN2
SCHEMBL11817575 0.69 NCF1 (0.41) CYP1A2L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL4509324 0.69 TLR8 (0.59) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL5654973 0.68 ALDH1A1 (0.53) L3MBTL1LMNASMN1; SMN2ALDH1A1ALPG

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
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed