SCHEMBL9423957

SCHEMBL9423957

Cc1cccc(N2CCCCC2)c1NC(N)=S

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 3/20 0.46
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.41
GAA P10253 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
SCHEMBL9423924 0.86 SCN9A (0.48) MAPTKMT2AALDH1A1LMNAMAPK1
SCHEMBL9059228 0.85 MAPT (0.48) L3MBTL1MAPTNPSR1KMT2AALDH1A1
SCHEMBL9059533 0.84 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1KMT2AALDH1A1
SCHEMBL9060599 0.83 DRD2 (0.48) L3MBTL1MAPTNPSR1KMT2AALDH1A1
Iodide SCHEMBL9424070 0.77 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1KMT2AALDH1A1
SCHEMBL5222474 0.77 GRIN2D (0.55) L3MBTL1MAPTKMT2AALDH1A1LMNA
SCHEMBL12004117 0.76 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1KMT2AALDH1A1
SCHEMBL865190 0.75 ALDH1A1 (0.62) L3MBTL1MAPTNPSR1KMT2AALDH1A1
SCHEMBL3429191 0.73 ALDH1A1 (0.50) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9424190 0.73 GAA (0.59) L3MBTL1MAPTNPSR1KMT2AALDH1A1

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