SCHEMBL4487224

SCHEMBL4487224

O=C(Br)Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.52
ENPP1 P22413 6/20 0.52
ENPP2 Q13822 4/20 0.52
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
KIF11 P52732 1/20 0.42
BMP1 P13497 1/20 0.41
RORC P51449 1/20 0.40
MAOB P27338 2/20 0.40
PTPN1 P18031 1/20 0.40
P2RX7 Q99572 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL27939842 0.81 PIK3CA (0.53) PTPN1EPHX2
SCHEMBL4330199 0.78 PTPN1 (0.65) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL6306030 0.78 ENPP3 (0.56) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL26162976 0.77 ENPP3 (0.63) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL2065585 0.76 CA1 (0.56) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL13578628 0.76 MEN1 (0.63) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL6550840 0.76 ENPP3 (0.58) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL13578657 0.76 ENPP3 (0.58) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL6549310 0.75 CA2 (0.54) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL6937368 0.75 CA2 (0.54) ENPP3ENPP1ENPP2CA1CA2

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-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed