SCHEMBL9423950

SCHEMBL9423950

S=C=Nc1ccccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 2/20 0.41
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL28455518 0.84 KEAP1 (0.44) ALDH1A1HSD17B10TDP1HPGDMAPT
SCHEMBL2717607 0.83 L3MBTL1 (0.45) LMNAALDH1A1HSD17B10TDP1HPGD
SCHEMBL9424479 0.83 KEAP1 (0.47) ALDH1A1HSD17B10TDP1HPGDMAPT
SCHEMBL9424559 0.81 HSD17B10 (0.42) LMNAALDH1A1HSD17B10TDP1HPGD
SCHEMBL9424405 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10TDP1HPGDALOX15
SCHEMBL9424410 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1HPGDMAPT
SCHEMBL9423830 0.78 ALDH1A1 (0.44) LMNAALDH1A1HSD17B10TDP1HPGD
SCHEMBL9424384 0.78 AKR1C3 (0.48) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL9424379 0.78 SMN1; SMN2 (0.40) LMNAALDH1A1HSD17B10TDP1HPGD
SCHEMBL14581565 0.77 LMNA (0.47) LMNAALDH1A1HSD17B10TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
WO-2013014445-A1 DERIVATIVES OF PHENYL (THIO) UREA DEOXYTHYMIDINE AND USE THEREOF AS ANTIMALARIALS UNIVERSITY OF DUNDEE (GB) 2013-01-31 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