SCHEMBL6432632

SCHEMBL6432632

CCC(CC)Nc1nc(C)nc(Oc2ccc(C)c(C)c2C)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CRHR1 P34998 7/20 0.38
LMNA P02545 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL5844675 0.83 CRHR1 (0.50) CRHR1
SCHEMBL5844265 0.81 CRHR1 (0.42) CRHR1
SCHEMBL11677180 0.75 MEN1 (0.35) CRHR1CCNA2CDK2TDP1
SCHEMBL5843803 0.72 CRHR1 (0.38) CRHR1CCNA2CDK2MAPTTDP1
SCHEMBL5843388 0.70 CRHR1 (0.48) ALDH1A1CRHR1
SCHEMBL11526154 0.69 HCAR3 (0.48) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL2282836 0.68 ATM (0.41) ALDH1A1CRHR1LMNACCNA2CDK2
SCHEMBL5843954 0.67 CRHR1 (0.41) ALDH1A1CRHR1LMNASMN1; SMN2MAPT
SCHEMBL7477014 0.67 KEAP1 (0.38) ALDH1A1CRHR1LMNAMAPTKDM4E
SCHEMBL11678131 0.66 CRHR1 (0.36) CRHR1LMNACCNA2CDK2MAPT

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