SCHEMBL18615914

SCHEMBL18615914

CC1(NC(=O)c2cc3ccc(-c4ccc5c(c4)OCC[S+]([O-])C5)cc3o2)CCC(F)(F)CC1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30

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
SCHEMBL20341801 0.84 — —
SCHEMBL23810290 0.84 CTSL (0.33) —
SCHEMBL20341745 0.77 SMN1; SMN2 (0.42) MAPTSMN1; SMN2TSHRHTTMEN1
SCHEMBL18615936 0.75 MAOA (0.33) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL20341862 0.75 BMPR1B (0.36) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL23810222 0.74 NPC1 (0.48) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL20341831 0.74 MAPT (0.32) MAPTMEN1RAB9AKMT2A
SCHEMBL18615951 0.73 BMPR1B (0.35) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL23810225 0.70 CA1 (0.37) RAB9A
SCHEMBL23810300 0.70 KDM4E (0.35) SMN1; SMN2TSHRMEN1NPC1RAB9A

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-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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