SCHEMBL4804700

SCHEMBL4804700

NC(=O)c1cccc(C(=O)c2ccccc2)c1.O=S(=O)(O)c1cc(-c2ccccc2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.55
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 5/20 0.44
KAT6A Q92794 1/20 0.44
RORC P51449 1/20 0.43
ADAMTS4 O75173 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA2 P17301 1/20 0.43
ERN1 O75460 1/20 0.43
DPP4 P27487 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
STS P08842 1/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL4804708 0.88 PBRM1 (0.56) ACLYCA1CA2CA9ATM
SCHEMBL4190433 0.81 ACLY (0.50) ACLYKAT6A
SCHEMBL28471630 0.80 PTK2B (0.50) ACLYCA1CA2CA9ATM
SCHEMBL4804704 0.76 ITGA1 (0.60) ACLYCA1CA2KAT6AHSD17B1
SCHEMBL3105323 0.75 TDP1 (0.78) CA1CA2ATMTDP1L3MBTL1
SCHEMBL14547178 0.73 PTK2B (0.44) ACLYATMTDP1L3MBTL1HSD17B1
SCHEMBL29941476 0.73 DHODH (0.68) TDP1L3MBTL1DHODHADAMTS4ERN1
SCHEMBL4553485 0.73 TET2 (0.41) ACLYKAT6AHSD17B1HSD17B2
SCHEMBL250118 0.72 PTK2B (0.45) ACLYHSD17B1HSD17B2
SCHEMBL5605746 0.72 TET2 (0.40) ACLYKAT6AHSD17B1HSD17B2

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
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP disclosed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 WO disclosed