SCHEMBL7844302

SCHEMBL7844302

COc1cc(OC)nc(Oc2ccc(N(C)C)nc2C(=O)O)n1.[CaH2]

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7843972 0.99 ALDH1A1 (0.42) ALDH1A1LMNATDP1NPSR1SMN1; SMN2
SCHEMBL9145299 0.97 ALDH1A1 (0.41) ALDH1A1LMNATDP1NPSR1SMN1; SMN2
SCHEMBL7843340 0.87 SMN1; SMN2 (0.48) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7844292 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4
Potassium Ion SCHEMBL7834907 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8326971 0.83 NPSR1 (0.41) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7846547 0.83 NPSR1 (0.41) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8322836 0.82 LCK (0.40) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8323796 0.80 LMNA (0.44) ALDH1A1LMNATDP1NPSR1SMN1; SMN2
SCHEMBL8322103 0.79 ALDH1A1 (0.38) ALDH1A1NPSR1

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-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