SCHEMBL9159546

SCHEMBL9159546

CSc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9167207 0.84 MEN1 (0.37) ABCG2MEN1KMT2ACRHBPCRHR2
SCHEMBL9164605 0.83 MEN1 (0.39) ABCG2MEN1KMT2ACRHBPCRHR2
SCHEMBL9167511 0.81 CRHBP (0.44) ABCG2MEN1KMT2ACRHBPCRHR2
SCHEMBL9164726 0.81 KMT2A (0.41) ABCG2MEN1KMT2ACRHBPCRHR2
SCHEMBL9164365 0.80 MAPT (0.47) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9161086 0.80 MEN1 (0.39) ABCG2MEN1KMT2ACRHBPCRHR2
SCHEMBL9159524 0.78 DHODH (0.41) DHODHABCG2ALDH1A1MAPT
SCHEMBL9162858 0.78 ABCG2 (0.43) DHODHABCG2MEN1KMT2AALDH1A1
SCHEMBL9159459 0.75 PSMB5 (0.43) MEN1KMT2AALDH1A1MAPT
SCHEMBL9159566 0.75 EIF4E (0.40) MEN1KMT2AALDH1A1MAPTTDP1

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-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