SCHEMBL9423830

SCHEMBL9423830

Cc1ccc(N2CCOCC2)c(N=C=S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
PRKDC P78527 1/20 0.44
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL9424384 0.82 AKR1C3 (0.48) PRKDCLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9424379 0.82 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2HPGDL3MBTL1
SCHEMBL9424280 0.80 ALDH1A1 (0.44) ALDH1A1PRKDCLMNASMN1; SMN2HPGD
SCHEMBL9423971 0.79 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL9423950 0.78 LMNA (0.43) ALDH1A1PRKDCLMNAHPGDL3MBTL1
SCHEMBL9059220 0.75 ALDH1A1 (0.43) ALDH1A1PRKDCLMNASMN1; SMN2HPGD
SCHEMBL9059721 0.75 ALDH1A1 (0.46) ALDH1A1PRKDCLMNASMN1; SMN2HPGD
SCHEMBL9424361 0.74 PRKDC (0.48) ALDH1A1PRKDCSMN1; SMN2HPGDMAPT
SCHEMBL12385911 0.74 ALDH1A1 (0.69) ALDH1A1PRKDCLMNASMN1; SMN2HPGD
SCHEMBL4816973 0.73 MAPT (0.49) ALDH1A1PRKDCLMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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