SCHEMBL3886882

SCHEMBL3886882

COC(=O)C1=C(c2ccccc2CC#N)C(=O)c2cccc(OC)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.56
FGFR2 P21802 3/20 0.56
FGFR4 P22455 3/20 0.56
FGFR3 P22607 3/20 0.56
SRC P12931 2/20 0.56
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EGFR P00533 1/20 0.40
PIM1 P11309 1/20 0.40
ELANE P08246 6/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TOP1 P11387 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3890633 0.84 FGFR1 (0.48) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL3904565 0.72 FGFR1 (0.61) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL143878 0.72 FGFR1 (1.00) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL8052814 0.70 HTR7 (0.47) RAB9ANPC1THRBALDH1A1MAPT
SCHEMBL13937653 0.69 FGFR1 (0.54) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL198463 0.68 IDO1 (0.52) ALDH1A1MAPTSMN1; SMN2GAATSHR
SCHEMBL2427784 0.67 ALDH1A1 (0.57) MEN1KMT2AEGFRALDH1A1TSHR
SCHEMBL29548152 0.67 ALDH1A1 (0.57) MEN1KMT2AEGFRALDH1A1TSHR
SCHEMBL667702 0.66 ALDH1A1 (0.47) MEN1KMT2AHSP90AA1RAB9ANPC1
SCHEMBL4324495 0.66 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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
WO-2009019616-A2 ISOPREKINAMYCIN ANALOGS AND SYNTHESES THEREOF UNIVERSITY OF MANITOBA (US) 2009-02-12 WO disclosed
WO-2009019616-A2 ISOPREKINAMYCIN ANALOGS AND SYNTHESES THEREOF UNIVERSITY OF MANITOBA (US) 2009-02-12 WO disclosed