SCHEMBL6429943

SCHEMBL6429943

CCC(CC)Nc1ccnc(CCCl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HCAR3 P49019 2/20 0.39
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6403184 0.90 HCAR3 (0.40) MAPTHCAR3MEN1KMT2AHCAR2
SCHEMBL6429939 0.78 MAPT (0.42) MAPTHCAR3MEN1KMT2AHCAR2
SCHEMBL6223842 0.69 ADORA2A (0.45) MAPTHCAR3
SCHEMBL6223839 0.69 ADORA2A (0.45) MAPTHCAR3
SCHEMBL11526154 0.68 HCAR3 (0.48) MAPTHCAR3MEN1KMT2APOLB
SCHEMBL11278677 0.67 LMNA (0.33) MAPT
SCHEMBL6221396 0.66 ADORA2A (0.45) MAPTHCAR3
SCHEMBL6221401 0.66 ADORA2A (0.45) MAPTHCAR3
SCHEMBL7885090 0.65 LMNA (0.41) MAPTHCAR3POLB
SCHEMBL7034302 0.65 IDH1 (0.38) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed