SCHEMBL8428656

SCHEMBL8428656

CC(=O)NC1=NNC=CC=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
BRD4 O60885 1/20 0.34
NR1I2 O75469 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 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
SCHEMBL29238680 0.71
SCHEMBL3964050 0.67 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5583489 0.64
SCHEMBL3969262 0.63
SCHEMBL13165599 0.62 L3MBTL1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3542282 0.62
Hydrochloric Acid SCHEMBL3963502 0.62
SCHEMBL28669823 0.61 EPHX1 (0.31)
SCHEMBL7164874 0.60
SCHEMBL3071609 0.58 LMNA (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US claimed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US claimed
CN-119100997-A Sulfadiol preparation method of octyl 重庆康乐制药有限公司 2024-12-10 CN disclosed
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US disclosed