SCHEMBL9424006

SCHEMBL9424006

CN/C(N)=N\c1ccccc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
POLB P06746 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
NSD2 O96028 1/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 1/20 0.38
KCNQ2 O43526 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
SCHEMBL9424008 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9059775 0.85 ALOX15 (0.44) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9533258 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9533260 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9424265 0.85 LMNA (0.42) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9424268 0.85 LMNA (0.42) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9060397 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL9060394 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
Methylamine SCHEMBL27301998 0.84 LMNA (0.41) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6554655 0.83 AKR1C3 (0.44) ALDH1A1L3MBTL1KMT2AMEN1ALOX15

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