SCHEMBL9161086

SCHEMBL9161086

CC(C)c1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL9163209 0.83 MAPT (0.37) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL9167511 0.81 CRHBP (0.44) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL9164726 0.81 KMT2A (0.41) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL9164365 0.80 MAPT (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9159546 0.80 DHODH (0.40) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL9164616 0.78 ATM (0.40) FABP3FABP4FABP5ALDH1A1NPC1
SCHEMBL9162858 0.78 ABCG2 (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9159566 0.77 EIF4E (0.40) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9167207 0.77 MEN1 (0.37) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL9159459 0.75 PSMB5 (0.43) MEN1KMT2AMAPTALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028754-C process for preparing quinoline derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-07 CN disclosed
EP-0354994-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 EP disclosed
US-5254565-A Enzyme inhibitors; anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed
EP-0354994-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-21 EP disclosed
CN-1039416-A Quinoline and preparation thereof and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-02-07 CN disclosed