SCHEMBL11014635

SCHEMBL11014635

O=[N+]([O-])c1cc(Cl)ccc1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 5/20 0.45
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
VCAM1 P19320 1/20 0.42
HTT P42858 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6298250 0.89 MAPK1 (0.46) MAPK1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL4792254 0.82 HSD17B10 (0.45) MAPK1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5432686 0.77 LMNA (0.44) MAPK1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL12584626 0.75 MYC (0.51) ALDH1A1L3MBTL1KMT2ASMN1; SMN2TSHR
SCHEMBL17671266 0.73 MEN1 (0.38) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL11824811 0.73 MAPK1 (0.59) MAPK1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL12643016 0.73 ALDH1A1 (0.44) MAPK1ALDH1A1KMT2ALMNAPOLB
SCHEMBL17029043 0.72 PDE7A (0.42) MAPK1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL17067714 0.71 HSP90AA1 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL9112610 0.71 ALDH1A1 (0.51) MAPK1ALDH1A1MAPTKMT2AMEN1

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
EP-0129692-A2 Dibenzodiazepin derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-01-02 EP disclosed