SCHEMBL22508222

SCHEMBL22508222

CON[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KLK7 P49862 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ ADAMTS4 O75173 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL22561334 0.85 ADAMTS4 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20733348 0.85 ADAMTS4 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20067564 0.84 USP2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17593772 0.84 HTT (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14862556 0.84 HTT (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL23071931 0.82 USP2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20149309 0.81 HTT (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22546078 0.81 SMN1; SMN2 (0.43) MEN1KMT2AKLK7SMN1; SMN2NPC1
SCHEMBL19277932 0.81 MEN1 (0.56) MEN1KMT2AADAMTS4
SCHEMBL22815478 0.81 MEN1 (0.56) MEN1KMT2AADAMTS4

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-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 — — WO disclosed
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