SCHEMBL9064067

SCHEMBL9064067

CC(=N)Nc1ccc(C)cc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.49
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 7/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PRKDC P78527 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9061151 0.89 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9059191 0.84 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9059090 0.82 POLB (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL9059942 0.81 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9424131 0.79 POLB (0.47) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11527737 0.74 ALDH1A1 (0.68) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL19203509 0.74 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9424027 0.74 SMN1; SMN2 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Iodide SCHEMBL9424068 0.74 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL20166340 0.73 LGMN (0.67) KMT2AMEN1SMN1; SMN2ATMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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