SCHEMBL14870877

SCHEMBL14870877

CN[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(N)=O)cc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HTT P42858 1/20 0.45
▸ TPSAB1 Q15661 2/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ GAA P10253 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
SCHEMBL19633842 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL24279731 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL18499692 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL15382668 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL23054326 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL23054325 0.89 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL12698542 0.88 HTT (0.48) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL18494908 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL20056881 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL24252193 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTTPSAB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 — — EP disclosed
WO-2021104834-A1 COMBINATION THERAPY ADC THERAPEUTICS SA (CH) 2021-06-03 — — WO disclosed
WO-2020245283-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES ADC THERAPEUTICS SA (CH) 2020-12-10 — — WO disclosed
WO-2018107109-A1 NOVEL ANTI-KREMEN2 ANTIBODIES AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-06-14 — — WO disclosed
WO-2018107116-A1 METHODS OF REDUCING TOXICITY OF ANTIBODY DRUG CONJUGATES, AND COMPOSITIONS PRODUCED THEREBY ABBVIE STEMCENTRX LLC (US) 2018-06-14 — — WO disclosed
EP-3309162-A1 TARGETED CONJUGATES OF PYRROLOBENZODIAZEPINES Seattle Genetics, Inc. (US) 2018-04-18 — — EP disclosed
WO-2017193096-A1 NOVEL ANTI-TNFRSF21 ANTIBODIES AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2017-11-09 — — WO disclosed
WO-2017184942-A1 NOVEL ANTI-BMPR1B ANTIBODIES AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2017-10-26 — — WO disclosed
WO-2017112811-A1 NOVEL ANTI-TNFSF9 ANTIBODIES AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2017-06-29 — — WO disclosed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 — — EP disclosed
WO-2017031458-A2 ANTI-DLL3 ANTIBODY DRUG CONJUGATES AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2017-02-23 — — WO disclosed
WO-2013055990-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEATTLE GENETICS, INC. (US) 2013-04-18 — — WO disclosed
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