SCHEMBL9527670

SCHEMBL9527670

ON=C(c1cccnc1)c1ccccc1CCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.43
GPR52 Q9Y2T5 1/20 0.42
TBXAS1 P24557 8/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.41
PTAFR P25105 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9532120 0.99 EPHX2 (0.47) EPHX2KMT2AALDH1A1MEN1NPC1
SCHEMBL9527614 0.97 EPHX2 (0.48) EPHX2KMT2AALDH1A1MEN1NPC1
SCHEMBL9528579 0.92 ALDH1A1 (0.53) EPHX2KMT2AALDH1A1MEN1NPC1
SCHEMBL9528361 0.87 ALDH1A1 (0.50) EPHX2KMT2AALDH1A1MEN1NPC1
SCHEMBL9532085 0.85 CYP11B1 (0.45) EPHX2KMT2AALDH1A1MEN1NPC1
SCHEMBL10406927 0.82 ALDH1A1 (0.44) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL9529147 0.81 NOTUM (0.44) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL9530556 0.80 MAPT (0.43) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9529321 0.80 ALDH1A1 (0.48) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL9532132 0.80 KMT2A (0.51) KMT2AALDH1A1KDM4E

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