SCHEMBL9310801

SCHEMBL9310801

COc1ccc(N=C(N)N2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
LRRK2 Q5S007 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL9061357 0.80 SIGMAR1 (0.60) SIGMAR1LMNAKMT2AMEN1HTT
SCHEMBL9311641 0.79 EPHX1 (0.48) KMT2AMEN1HTTKDM4ETDP1
SCHEMBL11093770 0.73 NOS3 (0.56) LMNAKMT2AMEN1HTTKDM4E
SCHEMBL9059169 0.72 POLB (0.39) SIGMAR1LMNAKMT2AMEN1HTT
SCHEMBL9059598 0.72 SIGMAR1 (0.54) SIGMAR1LMNAKMT2AMEN1HTT
SCHEMBL9059335 0.72 MET (0.39) SIGMAR1KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL9310798 0.72 NPC1 (0.44) LMNAKMT2AMEN1HTTKDM4E
SCHEMBL9059741 0.71 CYP46A1 (0.42) SIGMAR1LMNAKMT2AMEN1HTT
SCHEMBL9059465 0.70 SIGMAR1 (0.45) SIGMAR1HPGD
SCHEMBL9060033 0.70 ALDH1A1 (0.40) SIGMAR1HTTKDM4ETDP1SMN1; 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