SCHEMBL9423924

SCHEMBL9423924

Cc1cccc(N2CCOCC2)c1NC(N)=S

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
HPGD P15428 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
PRKDC P78527 1/20 0.41
GAA P10253 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9059303 0.86 SCN9A (0.48) SCN9AHPGDKMT2AMEN1AKR1C3
SCHEMBL9423957 0.86 L3MBTL1 (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9059359 0.85 HPGD (0.48) SCN9AHPGDKMT2AMEN1AKR1C3
SCHEMBL20119967 0.79 PRKDC (0.47) SCN9AHPGDKMT2AMEN1AKR1C3
Iodide SCHEMBL9424394 0.78 SCN9A (0.47) SCN9AHPGDKMT2AMEN1AKR1C3
SCHEMBL9059639 0.78 SCN9A (0.47) SCN9AHPGDKMT2AMEN1AKR1C3
SCHEMBL9059454 0.78 ALDH1A1 (0.49) SCN9AKMT2AMEN1ALDH1A1LMNA
SCHEMBL9423923 0.78 HPGD (0.52) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL9424123 0.77 ALDH1A1 (0.60) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL9059428 0.76 SCN9A (0.48) SCN9AHPGDKMT2AMEN1AKR1C3

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