SCHEMBL9423959

SCHEMBL9423959

COCCN/C(N)=N/c1ccccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 1/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
KEAP1 Q14145 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9423960 1.00 ALDH1A1 (0.44) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9423940 0.88 ALDH1A1 (0.44) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9423942 0.88 ALDH1A1 (0.44) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9424120 0.73 ALDH1A1 (0.43) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9424117 0.73 ALDH1A1 (0.43) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9424453 0.72 SMN1; SMN2 (0.46) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9424451 0.72 SMN1; SMN2 (0.46) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL9424021 0.71 POLB (0.41) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL9424023 0.71 POLB (0.41) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL9424265 0.71 LMNA (0.42) ALDH1A1SMN1; SMN2KDM4ETSHRMEN1

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