SCHEMBL7845570

SCHEMBL7845570

COC(=O)c1nc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
NOTUM Q6P988 1/20 0.47
S1PR4 O95977 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
CLCN2 P51788 1/20 0.45
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
BRD4 O60885 1/20 0.45
PTGER1 P34995 4/20 0.45
RNASEH1 O60930 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL720290 0.86 MAPT (0.50) GAAHPGDCHRM4CHRM3CLCN2
SCHEMBL4699590 0.85 HPGD (0.51) HPGDLMNAEGFRERBB2SMPD1
SCHEMBL4703419 0.84 SMPD1 (0.48) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL595556 0.84 SMPD1 (0.48) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL27852272 0.84 SMN1; SMN2 (0.52) GAAHPGDCHRM4CHRM3CLCN2
SCHEMBL30497608 0.84 SMPD1 (0.48) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL7846608 0.83 L3MBTL1 (0.46) HPGDLMNAEGFRERBB2SMPD1
SCHEMBL7844324 0.82 HPGD (0.45) HPGDLMNAEGFRERBB2SMPD1
SCHEMBL7846688 0.82 HTR1A (0.49) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL8324647 0.81 BRD4 (0.54) HPGDLMNASMPD1HDAC1HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed
EP-0507962-A1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-10-14 EP disclosed