SCHEMBL10712467

SCHEMBL10712467

CN(C)c1ccccc1C[S+]([O-])c1nc2cc(OC(F)F)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
RUNX1 Q01196 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL10713702 0.89 RUNX1 (0.36) ATP4AATP4BRUNX1
SCHEMBL10710867 0.88 CNR2 (0.32) ATP4AATP4B
SCHEMBL10711277 0.88 CNR2 (0.32)
SCHEMBL6480755 0.88 PRMT5 (0.38) ATP4AATP4BNPC1RAB9APKM
SCHEMBL10713745 0.84 RUNX1 (0.35) ATP4AATP4BNPC1RAB9ACYP1A2
SCHEMBL10711376 0.83 ATP4A (0.40) ATP4AATP4BNPC1RAB9AMEN1
SCHEMBL9396516 0.82 ATP4A (0.40) ATP4AATP4BNPC1RAB9APKM
SCHEMBL9677027 0.82 KDM4E (0.39) ATP4AATP4BNPC1RAB9APKM
SCHEMBL6476381 0.82 SLC6A2 (0.35) ATP4AATP4B
SCHEMBL6482665 0.81 ATP4A (0.39) ATP4AATP4BPKMLMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232399-A1 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-08-19 EP claimed
WO-1987001114-A2 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-02-26 WO claimed
EP-0232399-A1 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-08-19 EP disclosed
WO-1987001114-A2 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-02-26 WO disclosed