SCHEMBL11754124

SCHEMBL11754124

CCC(C)n1nnc2c([N+](=O)[O-])cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HCAR3 P49019 1/20 0.40
DCTPP1 Q9H773 1/20 0.38
PDE10A Q9Y233 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
PABPC1 P11940 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11409750 0.88 HCAR3 (0.39) MEN1CYP1A2CYP2C19KMT2AHCAR3
SCHEMBL11592105 0.86 TDP1 (0.41) MEN1CYP1A2CYP2C19KMT2ADCTPP1
SCHEMBL7751239 0.81 PABPC1 (0.37) MEN1CYP1A2CYP2C19KMT2ADCTPP1
SCHEMBL19848279 0.77 MEN1 (0.43) MEN1CYP1A2CYP2C19KMT2AHCAR3
SCHEMBL11593131 0.75 TDP1 (0.44) MEN1CYP1A2CYP2C19KMT2ADCTPP1
SCHEMBL22290244 0.74 MEN1 (0.41) MEN1CYP1A2CYP2C19KMT2AHCAR3
SCHEMBL11443949 0.73 DCTPP1 (0.40) MEN1CYP1A2CYP2C19KMT2ADCTPP1
SCHEMBL11407268 0.73 ALDH1A1 (0.43) MEN1KMT2APDE10ANOS1NOS2
SCHEMBL11756917 0.72 PDE10A (0.44) MEN1CYP1A2CYP2C19KMT2APDE10A
SCHEMBL3283298 0.72 MAPK1 (0.46) MEN1CYP1A2CYP2C19KMT2APDE10A

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-4038403-A INSECT AND ACARINA CONTROL AMERICAN CYANAMID COMPANY (US) 1977-07-26 US claimed