SCHEMBL9423940

SCHEMBL9423940

COCCN/C(N)=N/c1ccccc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.42
KDM4E B2RXH2 3/20 0.41
NAPEPLD Q6IQ20 1/20 0.41
BCHE P06276 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL9423942 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AGAAHPGDLMNA
SCHEMBL9423960 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AGAAHPGDSMN1; SMN2
SCHEMBL9423959 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AGAAHPGDSMN1; SMN2
SCHEMBL9424117 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AGAAHPGDLMNA
SCHEMBL9424120 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AGAAHPGDLMNA
SCHEMBL9424451 0.85 SMN1; SMN2 (0.46) ALDH1A1KMT2AGAAHPGDLMNA
SCHEMBL9424453 0.85 SMN1; SMN2 (0.46) ALDH1A1KMT2AGAAHPGDLMNA
SCHEMBL9424265 0.84 LMNA (0.42) ALDH1A1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL9424268 0.84 LMNA (0.42) ALDH1A1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL9424021 0.84 POLB (0.41) ALDH1A1KMT2AGAALMNASMN1; SMN2

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