SCHEMBL4748376

SCHEMBL4748376

Cc1cc(Cl)c2cc(Oc3ccc(F)cc3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GPR35 Q9HC97 1/20 0.47
GCK P35557 1/20 0.46
NQO2 P16083 3/20 0.44
NPC1 O15118 1/20 0.44
UBE2N P61088 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL3647767 0.88 MAPT (0.61) LMNAMAPTKMT2AMEN1NQO2
SCHEMBL4250865 0.86 LMNA (0.68) LMNAMAPTKMT2AALDH1A1HSD17B10
SCHEMBL4744417 0.82 KMT2A (0.47) KMT2AMEN1GPR35GCKNQO2
SCHEMBL27890180 0.82 ALDH1A1 (0.62) KMT2AMEN1GPR35GCKNQO2
SCHEMBL317463 0.80 LMNA (0.64) LMNAMAPTKMT2AMEN1GPR35
Hydrochloric Acid SCHEMBL9732126 0.78 LMNA (0.62) LMNAMAPTKMT2AMEN1GPR35
SCHEMBL858917 0.73 MAPT (0.56) LMNAMAPTKMT2AMEN1CYP1A2
SCHEMBL30572382 0.72 LMNA (1.00) LMNAMAPTKMT2ACYP1A2SMN1; SMN2
SCHEMBL4768081 0.72 LMNA (1.00) LMNAMAPTKMT2ACYP1A2SMN1; SMN2
SCHEMBL10824124 0.72 LMNA (0.72) LMNAMAPTCYP1A2TP53SMN1; SMN2

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-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed