SCHEMBL4023451

SCHEMBL4023451

Cc1ccc(Oc2ccc(NC(=O)c3nccc(N4CCCC(C)C4)c3S)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDK8 P49336 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4024174 0.89 POLB (0.45) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL4024543 0.82 ALK (0.43) TSHRNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4027846 0.77 TP53 (0.46) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL4028969 0.76 TP53 (0.50) TSHRNPC1RAB9APOLBNPSR1
SCHEMBL4030543 0.74 KMT2A (0.51) TSHRNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL4022786 0.71 PDGFRB (0.51) SMN1; SMN2MAPTALDH1A1LMNAGAA
SCHEMBL4023792 0.71 GAA (0.44) NPC1RAB9APOLBNPSR1SMN1; SMN2
SCHEMBL4023413 0.71 LMNA (0.41) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4031550 0.69 TP53 (0.49) RAB9APOLBMAPTALDH1A1LMNA
SCHEMBL2238036 0.66 PNLIP (0.54) TSHRNPC1RAB9ACDK8SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP claimed
EP-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP disclosed