SCHEMBL9424481

SCHEMBL9424481

Cc1cccc(NC#N)c1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.42
MAPK8 P45983 3/20 0.42
MAPK10 P53779 3/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKDC P78527 2/20 0.37
LRRK2 Q5S007 1/20 0.37
CNR2 P34972 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
SCHEMBL4807592 0.79 ALDH1A1 (0.67) ALDH1A1POLBKDM4ENPC1GAA
SCHEMBL9424371 0.75 ALDH1A1 (0.49) ALDH1A1POLBHPGDMAPK10KDM4E
SCHEMBL9423923 0.74 HPGD (0.52) ALDH1A1POLBHPGDMAPK8MAPK10
SCHEMBL3723928 0.71 ALDH1A1 (0.54) ALDH1A1POLBKDM4EGAAMAPT
Hexane SCHEMBL27297581 0.70 SMN1; SMN2 (0.60) ALDH1A1KDM4EGAALMNA
SCHEMBL9424159 0.69 ALDH1A1 (0.48) ALDH1A1POLBHPGDKDM4ENPC1
SCHEMBL15093718 0.68 ALDH1A1 (0.54) ALDH1A1POLBHPGDKDM4EGAA
SCHEMBL8872909 0.67 MAPT (0.48) ALDH1A1POLBHPGDKDM4ENPC1
SCHEMBL728547 0.67 RAPGEF4 (0.40) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL3723155 0.66 CYP1A2 (0.54) ALDH1A1POLBKDM4EGAAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed