SCHEMBL29530232

SCHEMBL29530232

N#Cc1ccncc1OCc1cccc(C(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 1/20 0.33
TGFBR1 P36897 2/20 0.32
NOTUM Q6P988 1/20 0.32
CYP19A1 P11511 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PIP4K2A P48426 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
KCNH2 Q12809 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL25323757 1.00 HTT (0.37) HTTALOX5APFEN1FFAR1ALDH1A1
SCHEMBL25319653 0.84 HTT (0.39) HTTALOX5APFEN1FFAR1ALDH1A1
SCHEMBL4766847 0.84 FFAR1 (0.45) HTTFFAR1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL29529877 0.79 LOXL2 (0.38) RXRAGRIN1GRIN2BKCNH2
SCHEMBL25321602 0.79 CLK1 (0.38) HTTFFAR1ALDH1A1SMN1; SMN2NCOA3
SCHEMBL25320465 0.79 LOXL2 (0.38) RXRAGRIN1GRIN2BKCNH2
SCHEMBL29102328 0.78 TGFBR1 (0.35) TGFBR1RXRAGRIN1GRIN2B
SCHEMBL25320336 0.77 IDH1 (0.39) HTTFFAR1ALDH1A1SMN1; SMN2NOTUM
SCHEMBL25320659 0.76 ALDH1A1 (0.38) HTTALOX5APFEN1FFAR1ALDH1A1
SCHEMBL29530250 0.76 ALDH1A1 (0.38) HTTALOX5APFEN1FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-02 EP disclosed
WO-2022066734-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2022-03-31 WO disclosed