SCHEMBL9251440

SCHEMBL9251440

CNc1ncc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.45
GALR2 O43603 1/20 0.45
HCAR3 P49019 1/20 0.43
JAK2 O60674 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR35 Q9HC97 1/20 0.38
CDC25B P30305 1/20 0.37
AHR P35869 1/20 0.37
TSHR P16473 2/20 0.37
VCAM1 P19320 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2684241 0.86 HCAR3 (0.55) POLBMAPK1MAPTLMNAGALR2
Hydrochloric Acid SCHEMBL9251447 0.85 HCAR3 (0.54) POLBMAPK1MAPTLMNAGALR2
Hydrochloric Acid SCHEMBL9251451 0.85 HCAR3 (0.54) POLBMAPK1MAPTLMNAGALR2
SCHEMBL6775498 0.84 MAPT (0.65) POLBMAPK1MAPTLMNAGALR2
SCHEMBL2248162 0.82 KMT2A (0.52) POLBMAPK1MAPTLMNAGALR2
SCHEMBL30305536 0.78 VCAM1 (0.45) POLBMAPK1MAPTLMNAALDH1A1
SCHEMBL2368685 0.78 VCAM1 (0.45) POLBMAPK1MAPTLMNAALDH1A1
SCHEMBL6832051 0.78 POLB (0.50) POLBMAPK1MAPTLMNAGALR2
SCHEMBL2303103 0.76 LMNA (0.42) POLBMAPK1MAPTLMNAALDH1A1
SCHEMBL9251220 0.76 JAK2 (0.42) POLBMAPK1MAPTLMNAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed