SCHEMBL3604322

SCHEMBL3604322

C[Si](C)(C)C#Cc1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.44
MAPK14 Q16539 5/20 0.43
LTA4H P09960 1/20 0.42
GRM5 P41594 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
CTSL P07711 2/20 0.40
ALPG P10696 2/20 0.40
HPGD P15428 2/20 0.40
CTSK P43235 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7716078 0.86 ATM (0.48) VNN1MAPK14LTA4HGRM5SMN1; SMN2
SCHEMBL3603052 0.85 LTA4H (0.50) VNN1LTA4HSMN1; SMN2LMNAALPG
SCHEMBL6545360 0.83 ATM (0.46) VNN1MAPK14LTA4HGRM5SMN1; SMN2
SCHEMBL7715052 0.83 ATM (0.46) VNN1MAPK14LTA4HGRM5SMN1; SMN2
SCHEMBL4301156 0.82 L3MBTL1 (0.53) VNN1MAPK14LTA4HSMN1; SMN2LMNA
SCHEMBL7716935 0.80 VNN1 (0.47) VNN1MAPK14GRM5ATMTDP1
SCHEMBL1637191 0.79 ABCC9 (0.44) VNN1MAPK14SMN1; SMN2LMNACTSL
SCHEMBL9545806 0.79 CA12 (0.44) GRM5HPGDTDP1L3MBTL1ALDH1A1
SCHEMBL29411036 0.79 CA12 (0.44) GRM5HPGDTDP1L3MBTL1ALDH1A1
SCHEMBL9477603 0.79 ACACB (0.47) GRM5SMN1; SMN2LMNAHPGDTDP1

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
US-7678873-B1 Acetylene-terminated hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2010-03-16 US claimed
US-7678873-B1 Acetylene-terminated hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2010-03-16 US disclosed