SCHEMBL27649028

SCHEMBL27649028

O=C(O)Cc1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.57
SLC9A1 P19634 1/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
GFER P55789 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR4 O95977 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4B Q07343 3/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47

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
SCHEMBL27947401 0.84 ALDH1A1 (0.53) MAPTALDH1A1HTTPKMKDM4E
SCHEMBL9208149 0.83 ALDH1A1 (0.69) MAPTALDH1A1HTTPKMKDM4E
SCHEMBL8181126 0.82 ALDH1A1 (0.57) MAPTALDH1A1HTTPKMKDM4E
SCHEMBL27669265 0.81 NR4A1 (0.63) SLC9A1MAPTALDH1A1HTTPKM
SCHEMBL27649026 0.81 ALDH1A1 (0.67) MAPTALDH1A1HTTPKMKDM4E
SCHEMBL624093 0.80 ALDH1A1 (0.65) SOS1SLC9A1MAPTALDH1A1HTT
SCHEMBL7405206 0.80 ALDH1A1 (0.65) MAPTALDH1A1HTTPKMKDM4E
SCHEMBL27669260 0.79 CYP2E1 (0.50) MAPTALDH1A1HTTPKMKDM4E
SCHEMBL282163 0.78 SOS1 (0.66) SOS1SLC9A1MAPTALDH1A1HTT
SCHEMBL5043758 0.78 ALDH1A1 (0.68) SOS1SLC9A1MAPTALDH1A1HTT

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
CN-100519544-C Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA INST OF CHEMISTRY KUL KU (KR) 2009-07-29 CN disclosed
CN-1902188-A Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RES INST CHEM TECH (KR) 2007-01-24 CN disclosed