SCHEMBL9059191

SCHEMBL9059191

CC(=N)Nc1ccc(F)cc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL9064067 0.84 KMT2A (0.55) SMN1; SMN2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL9059090 0.81 POLB (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
Hydrochloric Acid SCHEMBL27680805 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GAAKDM4EMAPT
SCHEMBL9059942 0.80 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1GAANPC1TDP1
SCHEMBL9424131 0.78 POLB (0.47) SMN1; SMN2ALDH1A1GAAKDM4ENPC1
SCHEMBL9061151 0.76 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL9423921 0.75 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GAAKDM4EMAPT
SCHEMBL1237577 0.72 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAAKDM4EMAPT
SCHEMBL20349156 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAAKDM4EMAPT
SCHEMBL6100179 0.72 LGMN (0.67) SMN1; SMN2ALDH1A1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO 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
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