SCHEMBL9529419

SCHEMBL9529419

ON=C(c1ccccc1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 9/20 0.52
HPGD P15428 5/20 0.52
GFER P55789 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PLOD2 O00469 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 2/20 0.46
BCHE P06276 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B2 P19099 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL273196 0.85 HPGD (0.64) KMT2AALDH1A1HPGDGFERCYP2C19
SCHEMBL27961040 0.85 HPGD (0.64) KMT2AALDH1A1HPGDGFERCYP2C19
SCHEMBL18228579 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1GFERCYP3A4
SCHEMBL18239363 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1GFERCYP3A4
SCHEMBL28341134 0.83 HPGD (0.68) KMT2AALDH1A1HPGDGFERCYP2C19
Water SCHEMBL9518556 0.83 HPGD (0.61) KMT2AALDH1A1HPGDGFERCYP2C19
SCHEMBL17302028 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL9532153 0.81 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HPGDGFER
SCHEMBL18787394 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL9768858 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1HPGDCYP1A2

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 5 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
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed
EP-0136640-A2 Trichloroacryloyloxime derivatives, process for their preparation and fungicides for agriculture NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-04-10 EP disclosed
US-4297359-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS ACF CHEMIEFARMA NV (NL) 1981-10-27 US disclosed
EP-0007679-A1 Oxime ethers, processes for their manufacture and pharmaceutical compositions thereof ACF CHEMIEFARMA NV (NL) 1980-02-06 EP disclosed