SCHEMBL11802020

SCHEMBL11802020

COC(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
USP2 O75604 1/20 0.65
TP53 P04637 6/20 0.64
LMNA P02545 1/20 0.62
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.56
MCL1 Q07820 1/20 0.55
OPRK1 P41145 2/20 0.52
HTR1A P08908 1/20 0.52
DRD3 P35462 1/20 0.52
HTR3A P46098 1/20 0.52
KCNH2 Q12809 1/20 0.52
GHSR Q92847 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.51
NR1I2 O75469 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL11810323 0.91 MEN1 (0.55) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11804705 0.89 TP53 (0.52) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11806947 0.89 MAPT (0.72) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11810202 0.88 PTGDR2 (0.53) MAPTMEN1KMT2AUSP2TP53
SCHEMBL7069966 0.86 TP53 (0.64) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11804792 0.84 TP53 (0.58) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11769344 0.84 TP53 (0.72) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11783865 0.83 TP53 (0.66) MAPTMEN1KMT2AUSP2TP53
SCHEMBL27405126 0.81 TP53 (0.69) MAPTMEN1KMT2AUSP2TP53
SCHEMBL11579807 0.80 TP53 (0.67) MAPTMEN1KMT2AUSP2TP53

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-3933816-A 3-(Substituted aminomethyl)-7-substituted-3,5-dihydro-as-triazino[4,3-a][1,5]benzodiazepines THE UPJOHN COMPANY (US) 1976-01-20 US disclosed