SCHEMBL12808403

SCHEMBL12808403

Cc1cc(C)cc(Oc2nc(Cl)nc(C)c2C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
NR4A2 P43354 1/20 0.39
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL501834 0.88 LMNA (0.33) RXRANR4A2LMNAALDH1A1SMN1; SMN2
SCHEMBL12808402 0.76 LMNA (0.35) LMNAALDH1A1SMN1; SMN2POLBCYP2C9
SCHEMBL501301 0.76 THRB (0.32)
SCHEMBL501496 0.73 MAPT (0.34) KDM4EGAAMAPTHPGDKMT2A
SCHEMBL501208 0.72 NPC1 (0.32)
SCHEMBL7759921 0.69 NPSR1 (0.35) LMNAALDH1A1SMN1; SMN2POLBCYP2C9
SCHEMBL501476 0.69 CRHR1 (0.36) LMNAALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL20564322 0.66 CNR2 (0.43) LMNAALDH1A1SMN1; SMN2POLBNPSR1
SCHEMBL20563862 0.66 GAA (0.33) ALDH1A1GAATSHRTDP1
SCHEMBL10204359 0.65 KDM4E (0.31) NPSR1KDM4EGAA

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-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed