SCHEMBL9312892

SCHEMBL9312892

NC(=S)Nc1ccc(F)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CHRM3 P20309 9/20 0.45
CHRM2 P08172 5/20 0.45
CHRM1 P11229 5/20 0.45
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.43
TAS2R38 P59533 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL9311478 0.87 MAPT (0.43) MAPTCHRM3ALDH1A1TP53TYR
SCHEMBL9311251 0.81 CYP1A2 (0.47) MAPTCHRM3ALDH1A1TP53TYR
SCHEMBL11160218 0.81 FABP4 (0.52) MAPTCHRM3ALDH1A1TP53TYR
SCHEMBL3906763 0.80 MAPT (0.56) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL18415465 0.80 MAPT (0.56) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL9311074 0.80 L3MBTL1 (0.49) MAPTCHRM3ALDH1A1TP53TYR
SCHEMBL9312449 0.79 SMN1; SMN2 (0.46) MAPTCHRM3ALDH1A1L3MBTL1KDM4E
SCHEMBL9311653 0.79 SIGMAR1 (0.57) MAPTALDH1A1TP53TYRTSHR
SCHEMBL17209129 0.77 MAPT (0.54) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL9311591 0.77 ALDH1A1 (0.40) MAPTCHRM1ALDH1A1TP53TYR

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