SCHEMBL27831908

SCHEMBL27831908

NCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C(=O)Oc1c(CN)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
GPR35 Q9HC97 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL27831910 0.93 CYP1A2 (0.41) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL4351249 0.84 ALDH1A1 (0.50) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL619394 0.76 ALDH1A1 (0.57) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL30460084 0.76 ALDH1A1 (0.57) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL10619766 0.76 TDP1 (0.48) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL3244360 0.74 ALDH1A1 (0.59) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL1221505 0.73 TDP1 (0.54) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL28778187 0.72 GPR35 (0.52) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL3784249 0.72 KMT2A (0.48) TDP1ALDH1A1LMNAGPR35HTT
SCHEMBL11125491 0.72 CA1 (0.51) TDP1ALDH1A1LMNAGPR35HTT

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
CN-102105556-A Pressure activatable chemiluminescent system useful for covert intrusion detection CYALUME TECHNOLOGIES INC 2011-06-22 CN disclosed