SCHEMBL2555823

SCHEMBL2555823

c1ccc(N2CCOCC2)cc1.c1ccc(N2CCOCC2)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.95
AKR1C3 P42330 2/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 6/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
HTT P42858 2/20 0.61
CYP1A2 P05177 1/20 0.61
KMO O15229 1/20 0.58
AR P10275 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR3A P46098 1/20 0.56

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
SCHEMBL3948094 1.00 LMNA (0.95) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL254812 1.00 LMNA (0.95) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL10070835 0.97 LMNA (1.00) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL13809379 0.97 LMNA (1.00) LMNAAKR1C3PKMTSHRCYP2C9
Hydrochloric Acid SCHEMBL9131024 0.97 LMNA (0.91) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL184087 0.97 LMNA (0.91) LMNAAKR1C3PKMTSHRCYP2C9
Ammonia Solution, Strong SCHEMBL4262260 0.97 LMNA (0.91) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL4408839 0.97 LMNA (0.91) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL11203977 0.97 LMNA (1.00) LMNAAKR1C3PKMTSHRCYP2C9
SCHEMBL10070687 0.97 LMNA (1.00) LMNAAKR1C3PKMTSHRCYP2C9

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-2558456-A1 DITHIIN DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-02-20 EP disclosed
WO-2011128301-A1 DITHIIN DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-10-20 WO disclosed