SCHEMBL9167207

SCHEMBL9167207

O=[N+]([O-])c1cnc2ccc(SC(F)F)cc2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TAAR1 Q96RJ0 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PIN1 Q13526 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9159546 0.84 DHODH (0.40) MEN1KMT2AABCG2CRHBPCRHR2
SCHEMBL9163375 0.79 MET (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9159566 0.79 EIF4E (0.40) MEN1KMT2ATAAR1MAPTPIN1
SCHEMBL9164605 0.78 MEN1 (0.39) MEN1KMT2AABCG2CRHBPCRHR2
SCHEMBL9164726 0.78 KMT2A (0.41) MEN1KMT2ATAAR1ABCG2CRHBP
SCHEMBL9167511 0.78 CRHBP (0.44) MEN1KMT2AABCG2CRHBPCRHR2
SCHEMBL9162858 0.77 ABCG2 (0.43) MEN1KMT2AABCG2MAPTNPC1
SCHEMBL9161086 0.77 MEN1 (0.39) MEN1KMT2AABCG2CRHBPCRHR2
SCHEMBL9164365 0.75 MAPT (0.47) MEN1KMT2AMAPTPIN1NPC1
SCHEMBL9159459 0.70 PSMB5 (0.43) MEN1KMT2ATAAR1MAPTALDH1A1

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