SCHEMBL9059686

SCHEMBL9059686

CSc1ccc(N=C(N)N2CCOCC2)c(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LRRK2 Q5S007 1/20 0.37
FAAH O00519 2/20 0.36
MGLL Q99685 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.35
FKBP1A P62942 1/20 0.34
CHRM1 P11229 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9060033 0.87 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1PTGS1PTGS2
SCHEMBL9059642 0.85 SIGMAR1 (0.39) KDM4EPTGS1PTGS2LMNAHTT
SCHEMBL9311235 0.81 SIGMAR1 (0.46) KDM4EEPHX1ALDH1A1FAAHMGLL
SCHEMBL9059550 0.78 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1PTGS1PTGS2
SCHEMBL9059377 0.77 EPHX1 (0.46) KDM4EHSD17B10EPHX1ALDH1A1FAAH
SCHEMBL9059966 0.76 SIGMAR1 (0.39) PTGS1PTGS2CHRM1SIGMAR1KMT2A
SCHEMBL9311641 0.74 EPHX1 (0.48) KDM4EHSD17B10EPHX1ALDH1A1SMN1; SMN2
SCHEMBL9060356 0.74 GRIN2D (0.44) CHRM1SIGMAR1RAB9A
SCHEMBL9059684 0.73 ALDH1A1 (0.44) KDM4EHSD17B10EPHX1ALDH1A1LRRK2
SCHEMBL9059169 0.71 POLB (0.39) KDM4EALDH1A1SMN1; SMN2LMNAHTT

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
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
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
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