SCHEMBL9424397

SCHEMBL9424397

CN(C)C(N)=Nc1cc(Cl)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
PRKDC P78527 1/20 0.40
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 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
SCHEMBL9424392 1.00 AKR1C3 (0.46) AKR1C3MAPTSMN1; SMN2GAAPRKDC
SCHEMBL9424294 0.90 AKR1C3 (0.41) AKR1C3MAPTSMN1; SMN2GAAPRKDC
SCHEMBL9424292 0.90 AKR1C3 (0.41) AKR1C3MAPTSMN1; SMN2GAAPRKDC
SCHEMBL9423979 0.86 ALDH1A1 (0.43) MAPTSMN1; SMN2GAAPRKDCKMT2A
SCHEMBL9423977 0.86 ALDH1A1 (0.43) MAPTSMN1; SMN2GAAPRKDCKMT2A
Hydrochloric Acid SCHEMBL9424436 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2GAAPRKDCKMT2A
SCHEMBL9424300 0.85 ALDH1A1 (0.40) MAPTSMN1; SMN2GAAMAPK1KMT2A
SCHEMBL9424297 0.85 ALDH1A1 (0.40) MAPTSMN1; SMN2GAAMAPK1KMT2A
Hydrochloric Acid SCHEMBL9424435 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2GAAPRKDCKMT2A
SCHEMBL9424167 0.82 GRIN2D (0.43) MAPTSMN1; SMN2GAAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US claimed
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
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