SCHEMBL9424031

SCHEMBL9424031

CN1CCC/C1=N\c1ccccc1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.39
KEAP1 Q14145 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.34
NCF1 P14598 2/20 0.34
PARP1 P09874 2/20 0.34
TP53 P04637 1/20 0.33
GRM5 P41594 1/20 0.33
PABPC1 P11940 1/20 0.33
ADRA2C P18825 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL9424033 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9059118 0.98 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9059117 0.98 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9424193 0.97 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9424196 0.97 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9424678 0.95 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9059387 0.95 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9424675 0.95 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAKEAP1
SCHEMBL9059184 0.88 KDM4E (0.43) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9059183 0.88 KDM4E (0.43) ALDH1A1KDM4EHPGDGAALMNA

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
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
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