SCHEMBL22455901

SCHEMBL22455901

Cc1cc(F)ccc1NS(=O)(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ ACLY P53396 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ KIF11 P52732 1/20 0.37

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
SCHEMBL855703 0.84 ACLY (0.51) ACLYPKMMAPTPOLBLMNA
SCHEMBL20290537 0.81 KMT2A (0.51) ACLYPTGES2MEN1KMT2AMCL1
SCHEMBL15108250 0.80 PLA2G7 (0.49) BRD4PKMFFAR4KMT2A
SCHEMBL12649965 0.79 CA1 (0.43) IDH1MAPTLMNAMEN1KMT2A
SCHEMBL19693721 0.78 ADRB3 (0.44) ACLYPTGES2
SCHEMBL27182878 0.77 FFAR4 (0.44) BRD4PKMFFAR4IDH1MAPT
SCHEMBL19303542 0.77 PSIP1 (0.51) BRD4MAPTPOLBLMNAMEN1
SCHEMBL24435816 0.76 BRD4 (0.45) BRD4PKMFFAR4IDH1MAPT
SCHEMBL17917630 0.76 CA2 (0.50) BRD4IDH1MCL1KIF11
SCHEMBL13468525 0.74 ALDH1A1 (0.50) MAPTPOLBALDH1A1

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-2020191205-A1 PI4-KINASE INHIBITORS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-09-24 — — WO disclosed
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