SCHEMBL9532347

SCHEMBL9532347

COc1cccc(CCON=C(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.53
TBXAS1 P24557 8/20 0.52
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TBXA2R P21731 8/20 0.46
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9532138 0.87 TBXAS1 (0.55) TBXAS1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL9529178 0.86 ALDH1A1 (0.60) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL9528581 0.86 TBXAS1 (0.59) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL8804598 0.85 TBXAS1 (0.54) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL8803341 0.85 TBXAS1 (0.54) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL9528365 0.84 TBXAS1 (0.58) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL9527829 0.84 MAPK1 (0.55) TBXAS1MEN1KMT2AALDH1A1MAPT
SCHEMBL9532300 0.84 TBXAS1 (0.57) TBXAS1MEN1KMT2AALDH1A1TBXA2R
SCHEMBL9532489 0.83 CYP11B1 (0.52) ABCB1TBXAS1CYP11B1CYP11B2KMT2A
SCHEMBL9529072 0.83 CYP11B1 (0.54) ABCB1TBXAS1CYP11B1CYP11B2MEN1

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-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed