SCHEMBL9059902

SCHEMBL9059902

CCCCN/C(=N\c1cc(SC)ccc1N1CCOCC1)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.36
GAA P10253 3/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL9059906 1.00 ALDH1A1 (0.38) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9424421 0.87 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9059908 0.87 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9061086 0.85 NPC1 (0.39) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9061079 0.85 NPC1 (0.39) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9059822 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9059818 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9059674 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9059671 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPTRAB9ANPY1RNPY2R
SCHEMBL9555559 0.81 L3MBTL1 (0.39) ALDH1A1MAPTRAB9ANPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO 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
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