SCHEMBL9635671

SCHEMBL9635671

O=C(CNC(=O)OCc1ccccc1)Nc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
KDM1A O60341 1/20 0.61
RCOR1 Q9UKL0 1/20 0.61
MAPK1 P28482 1/20 0.57
LMNA P02545 4/20 0.56
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 1/20 0.49
PARP1 P09874 1/20 0.48

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
SCHEMBL7315510 0.90 KDM1A (0.67) POLBKDM1ARCOR1MAPK1LMNA
SCHEMBL7624965 0.86 KDM1A (0.67) POLBKDM1ARCOR1MAPK1LMNA
SCHEMBL13679756 0.86 POLB (1.00) POLBKDM1ARCOR1LMNAALDH1A1
SCHEMBL11925397 0.84 KDM1A (0.64) POLBKDM1ARCOR1MAPK1LMNA
SCHEMBL7758912 0.84 KDM1A (0.64) POLBKDM1ARCOR1MAPK1LMNA
SCHEMBL2790938 0.83 POLB (0.64) POLBKDM1ARCOR1HTTSMN1; SMN2
SCHEMBL7622075 0.81 KDM1A (0.60) POLBKDM1ARCOR1MAPK1LMNA
SCHEMBL7687546 0.80 LMNA (0.57) POLBKDM1ARCOR1MAPK1LMNA
SCHEMBL1334862 0.80 POLB (0.88) POLBKDM1ALMNAHTTSMN1; SMN2
SCHEMBL9780058 0.80 KDM1A (0.62) KDM1ARCOR1LMNAALDH1A1

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-0308337-B1 4-AMINOPYRIDINE DERIVATIVES AND THEIR ACID ADDITION SALTS MITSUBISHI KASEI CORPORATION (JP) 1992-06-17 EP disclosed
US-4880819-A ALZHEIMER*S DISEASE, PEPTIDE DERIVATIVE MITSUBISHI KASEI CORPORATION (JP) 1989-11-14 US disclosed
EP-0308337-A2 4-Aminopyridine derivatives and their acid addition salts MITSUBISHI KASEI CORPORATION (JP) 1989-03-22 EP disclosed