SCHEMBL7974920

SCHEMBL7974920

O=C(O)C1=Cc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.39
BAD Q92934 2/20 0.39
CA12 O43570 3/20 0.36
CA9 Q16790 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.34
HAO2 Q9NYQ3 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR Q13258 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GALR1 P47211 1/20 0.33
ALPL P05186 1/20 0.32
RPA1 P27694 1/20 0.32
KMT2A Q03164 1/20 0.32
IKBKB O14920 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3499284 0.88 ALAD (0.35) CA12PTGDR2GALR1ALPL
SCHEMBL7929501 0.88 MCL1 (0.39) CA12CA9PTGDR2SMN1; SMN2GALR1
SCHEMBL7934175 0.87 PTGDR2 (0.43) CA12CA9PTGDR2HDAC2GALR1
SCHEMBL7970423 0.86 HAO1 (0.35)
SCHEMBL7931034 0.85 MAPT (0.41) CA12CA9SMN1; SMN2ALPLKMT2A
SCHEMBL7929550 0.85 RXRA (0.37)
SCHEMBL7934057 0.85 SLC6A3 (0.40) CA12CA9KDM4ESMN1; SMN2KMT2A
SCHEMBL7931169 0.85 CA12 (0.39) CA12CA9PTGDR2
SCHEMBL7972312 0.85 CCR5 (0.38) CA12CA9PTGDR2GALR1ALPL
SCHEMBL7929538 0.84 CA12 (0.43) CA12CA9PTGDR2GALR1

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
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed