SCHEMBL4024174

SCHEMBL4024174

Cc1ccc(Oc2ccc(NC(=O)c3nccc(N4CCC(C)CC4)c3S)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
PDGFRB P09619 1/20 0.40
MAPK13 O15264 1/20 0.40

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
SCHEMBL4023451 0.89 TSHR (0.44) POLBNPSR1HTTRXFP1NPC1
SCHEMBL4023792 0.81 GAA (0.44) POLBNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL4027846 0.78 TP53 (0.46) POLBNPSR1HTTNPC1RAB9A
SCHEMBL4028969 0.77 TP53 (0.50) POLBNPSR1HTTNPC1RAB9A
SCHEMBL4030543 0.75 KMT2A (0.51) NPSR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4022786 0.72 PDGFRB (0.51) SMN1; SMN2ALDH1A1LMNAGAAKDM4E
SCHEMBL4024543 0.71 ALK (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4023413 0.70 LMNA (0.41) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4031550 0.70 TP53 (0.49) POLBRAB9AALDH1A1LMNAGAA
SCHEMBL4024155 0.69 TP53 (0.42) POLBHTTNPC1RAB9ASMN1; 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