SCHEMBL9311641

SCHEMBL9311641

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
FKBP1A P62942 1/20 0.41
ALOX15 P16050 1/20 0.40
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL9059377 0.84 EPHX1 (0.46) EPHX1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9311235 0.81 SIGMAR1 (0.46) EPHX1KDM4EALDH1A1MAPTTSHR
SCHEMBL9310801 0.79 SIGMAR1 (0.46) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL9059686 0.74 KDM4E (0.39) EPHX1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9311475 0.74 BACE1 (0.42) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL9311630 0.73 EPHX1 (0.49) EPHX1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9059945 0.70 POLB (0.38) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL11338247 0.70 LMNA (0.48) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL28792758 0.69 DRD2 (0.54) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL9520387 0.69 POLB (0.50) HSD17B10HPGDMAPTTSHRSMN1; SMN2

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