SCHEMBL22051364

SCHEMBL22051364

O=C(CN1C(=O)NC(CS(=O)(=O)c2ccccc2)C1O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ ACLY P53396 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ ADAMTS7 Q9UKP4 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ RORC P51449 3/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CCR2 P41597 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL23877960 0.81 HSD11B1 (0.43) HSD11B1ACLYMGLLS1PR5PTPN1
SCHEMBL13774624 0.76 HSD11B1 (0.71) HSD11B1ACLYPTPN1RAB9AKMT2A
SCHEMBL24212006 0.69 S1PR5 (0.43) MGLLS1PR5RAB9ASMN1; SMN2KMT2A
SCHEMBL22050849 0.66 KIF11 (0.42) MGLLS1PR5RAB9ASMN1; SMN2CNR2
SCHEMBL13774627 0.65 PTPN1 (0.63) S1PR5PTPN1KMT2AALDH1A1
SCHEMBL29784281 0.65 RXRA (0.72) PTPN1RAB9AKMT2AALDH1A1
SCHEMBL2344585 0.65 RXRA (0.72) PTPN1RAB9AKMT2AALDH1A1
SCHEMBL22050486 0.65 USP5 (0.51) S1PR5ADAMTS7ADAMTS5KMT2AALDH1A1
SCHEMBL22051935 0.65 USP5 (0.51) S1PR5ADAMTS7ADAMTS5KMT2AALDH1A1
SCHEMBL18054903 0.64 ALDH1A1 (0.45) S1PR5SMN1; SMN2ALDH1A1CYP3A4CYP2C9

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-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — WO disclosed
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