SCHEMBL16112588

SCHEMBL16112588

COC(=O)c1[nH]cc(-c2ccccc2C)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
FGFR1 P11362 3/20 0.47
FGFR2 P21802 3/20 0.47
FGFR4 P22455 3/20 0.47
FGFR3 P22607 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
NR4A2 P43354 2/20 0.43
RPA1 P27694 1/20 0.42
MCL1 Q07820 1/20 0.42
HPGD P15428 2/20 0.40
SRC P12931 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AXL P30530 2/20 0.39
NEK1 Q96PY6 1/20 0.39
SGK1 O00141 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL16111747 0.85 LMNA (0.48) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL30590681 0.80 FGFR1 (0.46) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL3493408 0.77 HTT (0.46) HTTLMNAALDH1A1SMN1; SMN2NR4A2
SCHEMBL26553256 0.77 LMNA (0.48) HTTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL5769402 0.74 CA12 (0.44) HTTALDH1A1SGK1CAMKK2KMT2A
SCHEMBL30590618 0.72 HTT (0.43) HTTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL1127735 0.70 HTT (0.54) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL12658127 0.70 NR4A2 (0.57) HTTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL8319411 0.70 LMNA (0.51) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL16112586 0.70 ALDH1A1 (0.46) HTTFGFR1FGFR2FGFR4FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO disclosed