SCHEMBL6635208

SCHEMBL6635208

Sc1cccc(N2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
AGXT P21549 1/20 0.49
PRMT6 Q96LA8 1/20 0.47
APP P05067 1/20 0.42
TERT O14746 2/20 0.42
S100B P04271 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27548555 0.82 HTR7 (0.62) ALDH1A1HTTMAPTADRB1HTR1A
SCHEMBL487317 0.82 LMNA (0.59) MEN1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL26423291 0.82 ADRA2C (0.65) MEN1ALDH1A1KMT2AGAAKDM4E
SCHEMBL22685038 0.81 ALDH1A1 (0.59) MEN1ALDH1A1KMT2AGAAKDM4E
SCHEMBL29053019 0.80 ADRA2C (0.62) MEN1ALDH1A1KMT2AGAAKDM4E
SCHEMBL30468954 0.80 ADRA2C (0.62) MEN1ALDH1A1KMT2AGAAKDM4E
SCHEMBL12389862 0.79 VCP (0.49) MEN1ALDH1A1KMT2AAGXTHTT
SCHEMBL533024 0.76 ADRA2C (0.68) MEN1ALDH1A1KMT2AGAAKDM4E
SCHEMBL255378 0.74 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AGAAKDM4E
SCHEMBL1397693 0.74 ADRA2C (0.66) MEN1ALDH1A1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed