SCHEMBL9310587

SCHEMBL9310587

N#CNc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 2/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B10 Q99714 2/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 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
SCHEMBL9312792 0.84 TDP1 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAHSD17B10
SCHEMBL9311756 0.84 STAT3 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL9311087 0.80 KDM4E (0.44) HPGDHTTKDM4E
SCHEMBL543372 0.78 FABP3 (0.47) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL3244144 0.78 SMN1; SMN2 (0.43) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL11050237 0.78 TSHR (0.36) HPGDHSD17B10MAPK1L3MBTL1TSHR
SCHEMBL9311325 0.77 ADORA1 (0.40) ALDH1A1HPGDLMNAMAPTHTT
SCHEMBL9535622 0.77 FABP4 (0.48) FABP4FABP5ALDH1A1HPGDMEN1
SCHEMBL9311999 0.77 HDAC7 (0.44) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL9311141 0.77 MAPT (0.42) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E

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