SCHEMBL6429939

SCHEMBL6429939

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
HCAR3 P49019 3/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
ALDH1A1 P00352 5/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HASPIN Q8TF76 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 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 0.80 HCAR3 (0.40) MAPTHCAR3MEN1KMT2ACCNA2
SCHEMBL6429943 0.78 MAPT (0.39) MAPTHCAR3MEN1KMT2ACCNA2
SCHEMBL6223839 0.69 ADORA2A (0.45) MAPTHCAR3ALDH1A1LMNA
SCHEMBL6223842 0.69 ADORA2A (0.45) MAPTHCAR3ALDH1A1LMNA
SCHEMBL11526154 0.69 HCAR3 (0.48) MAPTHCAR3MEN1KMT2ATDP1
SCHEMBL7885090 0.69 LMNA (0.41) MAPTHCAR3ALDH1A1POLBLMNA
SCHEMBL6221396 0.67 ADORA2A (0.45) MAPTHCAR3
SCHEMBL6221401 0.67 ADORA2A (0.45) MAPTHCAR3
SCHEMBL6082397 0.67 CRHR1 (0.36) MAPTMEN1KMT2ATDP1CCNA2
SCHEMBL6082392 0.67 CRHR1 (0.36) MAPTMEN1KMT2ATDP1CCNA2

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