SCHEMBL9529148

SCHEMBL9529148

ON=C(c1cccnc1)c1ccccc1CCOc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL9530556 0.91 MAPT (0.43) LMNASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9529759 0.89 KMT2A (0.43) LMNASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9529174 0.87 LTA4H (0.39) LMNASMN1; SMN2POLBMAPTNPC1
SCHEMBL9528779 0.81 KDM4E (0.44) LMNASMN1; SMN2POLBMAPTNPC1
SCHEMBL9527691 0.80 TSHR (0.45) LMNASMN1; SMN2POLBMAPTNPC1
SCHEMBL9531938 0.79 TBXA2R (0.46) TSHRMEN1KMT2A
SCHEMBL9527584 0.77 LMNA (0.43) LMNASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9532132 0.76 KMT2A (0.51) CYP2C9USP2ALDH1A1KMT2A
SCHEMBL9528579 0.76 ALDH1A1 (0.53) LMNASMN1; SMN2MAPTNPC1TSHR
SCHEMBL9528361 0.76 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTNPC1CYP1A2

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