SCHEMBL9423923

SCHEMBL9423923

Cc1cccc(NC(N)=S)c1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 5/20 0.43
MAPK10 P53779 5/20 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
SCHEMBL9423924 0.78 SCN9A (0.48) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL9424123 0.77 ALDH1A1 (0.60) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL4807592 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBHTTMAPT
SCHEMBL9424481 0.74 ALDH1A1 (0.47) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL17979907 0.72 ALDH1A1 (0.58) HPGDALDH1A1KDM4EPOLBHTT
SCHEMBL3723928 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBHTTMAPT
SCHEMBL9423881 0.72 LMNA (0.50) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL29838620 0.70 ALDH1A1 (0.68) ALDH1A1POLBHTTMAPTMEN1
SCHEMBL5447861 0.70 ALDH1A1 (0.68) ALDH1A1POLBHTTMAPTMEN1
SCHEMBL29998429 0.69 ALDH1A1 (0.66) HPGDALDH1A1KDM4EPOLBHTT

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