SCHEMBL9359288

SCHEMBL9359288

Cc1cc2c(-c3ccccc3Cl)c(NC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n(C)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.49
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NSD2 O96028 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
IDH1 O75874 1/20 0.44
BAZ1A Q9NRL2 2/20 0.42
PKM P14618 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL9363416 0.87 TACR1 (0.54) MEN1KMT2AMAPTLMNANPC1
SCHEMBL9359119 0.87 PKM (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL9358982 0.87 PKM (0.47) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL9363075 0.83 FPR2 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL9363425 0.83 KDR (0.51) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL7642011 0.78 HTT (0.45) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9359046 0.76 MAPT (0.41) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL9358808 0.71 KDR (0.47) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL9358719 0.70 LMNA (0.50) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6634344 0.70 ROCK2 (0.41) MAPTLMNA

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
EP-0421456-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-12-28 EP disclosed
US-5223513-A Anticholesterol agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-29 US disclosed
EP-0421456-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed