SCHEMBL9059684

SCHEMBL9059684

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
CHRNA7 P36544 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM1A O60341 1/20 0.38
LRRK2 Q5S007 1/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9060028 0.87 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL9059638 0.85 MEN1 (0.38) ALDH1A1MAPTGAAPTGS1PTGS2
SCHEMBL9311226 0.81 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2TSHRGAA
SCHEMBL9536765 0.79 CHRM3 (0.44) ALDH1A1MAPTSMN1; SMN2TSHRGAA
SCHEMBL9059545 0.77 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL9059374 0.77 CHRNA7 (0.48) ALDH1A1MAPTSMN1; SMN2TSHRGAA
SCHEMBL9059960 0.75 MEN1 (0.38) ALDH1A1MAPTSMN1; SMN2TSHRGAA
SCHEMBL9060350 0.75 CHRM1 (0.36) ALDH1A1MAPTSMN1; SMN2GAAHSD17B10
SCHEMBL9539987 0.74 CHRM3 (0.44) ALDH1A1MAPTSMN1; SMN2TSHRGAA
SCHEMBL9311630 0.74 EPHX1 (0.49) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10

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