SCHEMBL3717399

SCHEMBL3717399

C[Si](C)(C)CCOC(=O)Nc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RORC P51449 1/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL19938054 0.84 HPGD (0.69) MEN1KMT2AHPGDRAB9ALMNA
SCHEMBL19941261 0.81 MEN1 (0.57) MEN1KMT2AHPGDRAB9ALMNA
SCHEMBL9969774 0.81 MEN1 (0.57) MEN1KMT2AHPGDRAB9ALMNA
SCHEMBL11744132 0.81 MAPK1 (0.66) MEN1KMT2AHPGDRAB9ALMNA
SCHEMBL9969391 0.81 MEN1 (0.53) MEN1KMT2AHPGDRAB9ALMNA
SCHEMBL28137985 0.79 RPS6KB1 (0.46) MEN1KMT2ARAB9AHTTSMN1; SMN2
SCHEMBL2092275 0.78 MEN1 (0.60) MEN1KMT2AHPGDRAB9ASMN1; SMN2
SCHEMBL5209200 0.77 LMNA (0.58) MEN1KMT2ARAB9ALMNAHTT
SCHEMBL2091913 0.77 MEN1 (0.62) MEN1KMT2AHPGDRAB9ASMN1; SMN2
SCHEMBL14270128 0.76 MEN1 (0.50) MEN1KMT2AHPGDRAB9ALMNA

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-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed