SCHEMBL8322103

SCHEMBL8322103

COc1cc(OC)nc(Oc2ccc(N(C)C)nc2C(=O)c2ncc[nH]2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
BRAF P15056 1/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTSA P10619 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7843972 0.80 ALDH1A1 (0.42) ALDH1A1NPSR1
SCHEMBL7843340 0.79 SMN1; SMN2 (0.48) ALDH1A1NPSR1
SCHEMBL9145299 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1
SCHEMBL7844302 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1
Potassium Ion SCHEMBL7834907 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1
SCHEMBL7844292 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1
SCHEMBL7846547 0.75 NPSR1 (0.41) ALDH1A1NPSR1
SCHEMBL8326971 0.75 NPSR1 (0.41) ALDH1A1NPSR1
SCHEMBL8322100 0.73 SMN1; SMN2 (0.37) ALDH1A1NPSR1
SCHEMBL8069600 0.71 NPC1 (0.46) ALDH1A1BRAFHDAC1NPC1RAB9A

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-0567133-B1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-11-03 EP disclosed
US-5403816-A Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-04 US disclosed
EP-0567133-A1 Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-10-27 EP disclosed