SCHEMBL9424294

SCHEMBL9424294

CN(C)C(N)=Nc1ccc(Cl)cc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.40
PRKDC P78527 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL9424292 1.00 AKR1C3 (0.41) AKR1C3MAPTSMN1; SMN2GAAKMT2A
SCHEMBL9424392 0.90 AKR1C3 (0.46) AKR1C3MAPTSMN1; SMN2GAAKMT2A
SCHEMBL9424397 0.90 AKR1C3 (0.46) AKR1C3MAPTSMN1; SMN2GAAKMT2A
SCHEMBL9424333 0.86 ALDH1A1 (0.40) MAPTSMN1; SMN2GAAKMT2APRKDC
SCHEMBL9424332 0.86 ALDH1A1 (0.40) MAPTSMN1; SMN2GAAKMT2APRKDC
SCHEMBL9424136 0.82 PRKDC (0.44) MAPTSMN1; SMN2GAAKMT2APRKDC
SCHEMBL9424138 0.82 PRKDC (0.44) MAPTSMN1; SMN2GAAKMT2APRKDC
SCHEMBL6553147 0.81 SIGMAR1 (0.40) AKR1C3MAPTSMN1; SMN2GAAKMT2A
SCHEMBL2707104 0.81 SIGMAR1 (0.40) AKR1C3MAPTSMN1; SMN2GAAKMT2A
Hydrochloric Acid SCHEMBL9424101 0.80 SIGMAR1 (0.39) AKR1C3MAPTSMN1; SMN2GAAKMT2A

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