SCHEMBL7716935

SCHEMBL7716935

O=C(c1cccc(C#Cc2ccc(F)cc2)c1)c1cccc(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 0.47
▸ MAPK14 Q16539 3/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ GRM5 P41594 2/20 0.44
▸ HAO1 Q9UJM8 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ CES2 O00748 1/20 0.41

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
SCHEMBL6545360 0.97 ATM (0.46) VNN1MAPK14CA12CA1CA2
SCHEMBL7715052 0.97 ATM (0.46) VNN1MAPK14CA12CA1CA2
SCHEMBL7716078 0.93 ATM (0.48) VNN1MAPK14GRM5ATMTDP1
SCHEMBL4301156 0.92 L3MBTL1 (0.53) VNN1MAPK14ATMTDP1L3MBTL1
SCHEMBL6839761 0.86 MAPK14 (0.46) VNN1MAPK14GRM5TDP1FFAR1
SCHEMBL17450481 0.85 ATM (0.61) CA12CA1CA2CA9ATM
SCHEMBL7512194 0.84 GRM5 (0.42) VNN1MAPK14GRM5ATMTDP1
SCHEMBL7518691 0.84 VNN1 (0.42) VNN1MAPK14GRM5ATMTDP1
SCHEMBL14338517 0.83 ATM (0.65) CA12CA1CA2CA9ATM
SCHEMBL1746493 0.81 MMP2 (0.55) GRM5FFAR1MMP2MMP9MMP12

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-6380347-B1 MACROCYCLES MADE BY THE CYCLIZATION OF A BISPHENOL CONTAINING TRIPLE BOND(S) AND A DIFLUOROAROMATIC COMPOUND; MODIFIERS OF CROSSLINKED POLYMERS; LOW DIELECTRIC CONSTANT FOR THE LAYERS OF INTEGRATED CIRCUITS CONTAINING METALLIC CONNECTORS HONEYWELL INTERNATIONAL INC. 2002-04-30 — — US claimed
US-6380347-B1 MACROCYCLES MADE BY THE CYCLIZATION OF A BISPHENOL CONTAINING TRIPLE BOND(S) AND A DIFLUOROAROMATIC COMPOUND; MODIFIERS OF CROSSLINKED POLYMERS; LOW DIELECTRIC CONSTANT FOR THE LAYERS OF INTEGRATED CIRCUITS CONTAINING METALLIC CONNECTORS HONEYWELL INTERNATIONAL INC. 2002-04-30 — — US disclosed
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