SCHEMBL7186122

SCHEMBL7186122

COc1ccc(OC)c2c(Br)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NQO2 P16083 4/20 0.43
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
NSD2 O96028 2/20 0.38
CASP6 P55212 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHUK O15111 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL24715778 0.86 NQO2 (0.39) MAPTNQO2HTR1AADRA1DADRA1A
SCHEMBL25291696 0.80 KMT2A (0.49) MAPTMEN1KMT2AALDH1A1CASP3
SCHEMBL16965398 0.77 LCK (0.45) MAPTNQO2NSD2MEN1KMT2A
SCHEMBL7177793 0.77 NSD2 (0.41) MAPTNQO2HTR1AADRA1DADRA1A
SCHEMBL7188128 0.77 ALDH1A1 (0.42) MAPTNQO2HTR1AADRA1DADRA1A
SCHEMBL20830484 0.76 MEN1 (0.39) MAPTNQO2NSD2MEN1KMT2A
SCHEMBL31331152 0.76 NQO2 (0.55) MAPTNQO2HTR1AADRA1DADRA1A
SCHEMBL2171704 0.76 NQO2 (0.55) MAPTNQO2HTR1AADRA1DADRA1A
SCHEMBL4014412 0.74 HTR1A (0.59) MAPTNQO2HTR1AADRA1DADRA1A
SCHEMBL3583657 0.74 TGFBR1 (0.46) NQO2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583150-B1 Cytotoxic propertie; antitumor; pyrido-(3,2-g)quinoline-5,10-diones; benzo(b)pyrido(4,3,2-de)(1,7)-phenanthroline-8-ones LABORATORIE L. LAFON (FR) 2003-06-24 US disclosed
EP-1161432-A1 PHARMACEUTICAL COMPOSITION BASED ON POLYAROMATIC COMPOUNDS LABORATOIRE L. LAFON (FR) 2001-12-12 EP disclosed
WO-2000055160-A1 PHARMACEUTICAL COMPOSITION BASED ON POLYAROMATIC COMPOUNDS LABORATOIRE L. LAFON (FR) 2000-09-21 WO disclosed