SCHEMBL4749202

SCHEMBL4749202

Cc1cc(O)c2c(Cl)c(Cl)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 2/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NR4A2 P43354 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGK1 P00558 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4744528 0.83 LMNA (0.52) LMNAMAPTPOLBKMT2ANR4A2
SCHEMBL7047331 0.81 CYP3A4 (0.40) CYP3A4MAPK1HSP90AA1KDM4EALDH1A1
SCHEMBL4788222 0.79 PARP1 (0.46) LMNAMAPTKMT2AHSP90AA1NR4A2
SCHEMBL9380176 0.73 NQO2 (0.48) KDM4E
SCHEMBL28842256 0.73 POLB (0.41) LMNAMAPTCYP3A4POLBKMT2A
SCHEMBL25380852 0.72 CYP3A4 (0.37) MAPTCYP3A4MAPK1KDM4EALDH1A1
SCHEMBL31353274 0.71 PDE3B (0.35) LMNAMAPTPOLBKMT2APDE3B
SCHEMBL2823571 0.71 ALDH1A1 (0.33) MAPTCYP3A4MAPK1POLBKMT2A
SCHEMBL11100714 0.70 MAPT (0.49) LMNAMAPTMAPK1KMT2AKDM4E
SCHEMBL4748554 0.69 POLB (0.53) LMNAPOLBKMT2ANR4A2KDM4E

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