SCHEMBL9528175

SCHEMBL9528175

ON=C(c1ccncc1)c1ccccc1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 1/20 0.37
KDR P35968 1/20 0.37
PKM P14618 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL10407004 0.89 TSHR (0.43) SMN1; SMN2KMT2ATSHRALDH1A1NPSR1
SCHEMBL9528465 0.86 ALDH1A1 (0.41) SMN1; SMN2KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL9527691 0.86 TSHR (0.45) SMN1; SMN2KMT2ATSHRLMNAALDH1A1
SCHEMBL9530012 0.80 KDM4E (0.42) SMN1; SMN2KMT2AGFERTSHRLMNA
SCHEMBL9529021 0.80 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ALMNAALDH1A1NPSR1
SCHEMBL9529174 0.79 LTA4H (0.39) SMN1; SMN2KMT2AGFERLMNAALDH1A1
SCHEMBL10406930 0.78 ALDH1A1 (0.46) SMN1; SMN2KMT2ATSHRLMNAALDH1A1
SCHEMBL9528114 0.76 CYP2C9 (0.39) SMN1; SMN2KMT2ATSHRLMNAALDH1A1
SCHEMBL10407326 0.76 CYP2C19 (0.47) SMN1; SMN2LMNAALDH1A1NPSR1MAPT
SCHEMBL9532085 0.74 CYP11B1 (0.45) SMN1; SMN2KMT2ATSHRLMNAALDH1A1

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