SCHEMBL7445704

SCHEMBL7445704

O=[N+]([O-])c1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
ATM Q13315 1/20 0.53
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL29758132 1.00 MAPT (0.65) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL16168691 0.82 POLB (0.65) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL14322049 0.80 MAPT (0.55) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL14321628 0.79 MAPT (0.53) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL22636765 0.79 GAA (0.53) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL10066581 0.79 KMT2A (0.53) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL299335 0.79 MAPT (0.65) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL10022433 0.79 KMT2A (0.53) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL4455066 0.78 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL31009041 0.78 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1POLB

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
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed