SCHEMBL9532349

SCHEMBL9532349

ON=C(c1cccnc1)c1ccccc1CCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9528361 0.81 ALDH1A1 (0.50) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9528579 0.81 ALDH1A1 (0.53) MAPK1TDP1ALDH1A1MEN1KMT2A
SCHEMBL9529147 0.80 NOTUM (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9528536 0.79 KMT2A (0.36) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9529948 0.78 GAA (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10406927 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL9532147 0.77 CYP1A2 (0.44) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9527670 0.77 EPHX2 (0.48) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9527614 0.77 EPHX2 (0.48) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9532120 0.76 EPHX2 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA

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
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed