SCHEMBL9310567

SCHEMBL9310567

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
BACE1 P56817 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
Fumaric Acid SCHEMBL9311538 0.92 CHRM3 (0.46) CHRM3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9059622 0.89 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9311505 0.88 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL9059661 0.83 ALDH1A1 (0.49) CHRM3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9539360 0.80 FABP4 (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL5106389 0.80 KDM4E (0.53) CHRM3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9311252 0.79 FABP4 (0.49) ALDH1A1SMN1; SMN2HTTKDM4ENPSR1
SCHEMBL17206259 0.78 KDM4E (0.52) CHRM3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8471964 0.75 ALDH1A1 (0.52) CHRM3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9311630 0.75 EPHX1 (0.49) CHRM3ALDH1A1L3MBTL1LMNASMN1; 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 3 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
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