SCHEMBL11677757

SCHEMBL11677757

CCC(CC)Nc1nc(Cl)nc(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR1 P34998 8/20 0.35
GLP1R P43220 2/20 0.33
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
DPP4 P27487 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HCAR3 P49019 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30
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
SCHEMBL11677736 0.81 MAPT (0.38) ATMMEN1KMT2ACRHR1MAPT
SCHEMBL11676996 0.81 TDP1 (0.42) ATMMEN1KMT2AMAPTTDP1
SCHEMBL11677248 0.78 ATM (0.34) ATMMEN1KMT2ACRHR1GLP1R
SCHEMBL11677762 0.77 ATM (0.40) ATMKMT2AMAPTTDP1HCAR3
SCHEMBL8080508 0.77 POLB (0.36) MAPTMAPK1POLB
SCHEMBL5843803 0.74 CRHR1 (0.38) ATMMEN1KMT2ACRHR1GLP1R
SCHEMBL11753027 0.74 DPP4 (0.47) ATMMEN1KMT2AGLP1RMAPT
SCHEMBL11680185 0.71 MEN1 (0.43) ATMMEN1KMT2ACRHR1GLP1R
SCHEMBL4191609 0.70 PIN1 (0.53) CRHR1GLP1RMAPTHCAR3HTT
SCHEMBL11854675 0.70 DPP4 (0.44) MEN1KMT2AGLP1RMAPTTDP1

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-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed