SCHEMBL9311630

SCHEMBL9311630

COc1ccc(-c2ccccc2)c(NC(=N)N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 3/20 0.44
BLM P54132 1/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 1/20 0.43

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
Fumaric Acid SCHEMBL9311275 0.93 EPHX1 (0.48) EPHX1CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL9539987 0.92 CHRM3 (0.44) EPHX1CHRM3ALDH1A1KDM4EHSD17B10
SCHEMBL9059374 0.84 CHRNA7 (0.48) EPHX1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL9311226 0.81 ALDH1A1 (0.63) CHRM3ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9310798 0.78 NPC1 (0.44) CHRM3ALDH1A1KDM4ETSHRTDP1
SCHEMBL9310567 0.75 CHRM3 (0.47) CHRM3ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9059684 0.74 ALDH1A1 (0.44) EPHX1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5106389 0.74 KDM4E (0.53) CHRM3ALDH1A1KDM4EMAPTRAB9A
Fumaric Acid SCHEMBL9311008 0.73 ALDH1A1 (0.60) CHRM3ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9311641 0.73 EPHX1 (0.48) EPHX1ALDH1A1KDM4EHSD17B10MAPT

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-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed