SCHEMBL14966039

SCHEMBL14966039

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KLKB1 P03952 2/20 0.44
▸ PLG P00747 1/20 0.44
▸ PDF Q9HBH1 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ SPHK1 Q9NYA1 4/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ MYLK4 Q86YV6 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.39
▸ CALCRL Q16602 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EHMT2 Q96KQ7 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
SCHEMBL18738463 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1PLGPDFSPHK1
SCHEMBL29335395 0.84 KLKB1 (0.43) KLKB1PLGPDFSPHK1SPHK2
SCHEMBL20864042 0.83 LTA4H (0.40) KLKB1PLGPDFSPHK1ROCK1
SCHEMBL24864663 0.81 KLKB1 (0.48) KLKB1PLGPDFSPHK1SPHK2
SCHEMBL24539700 0.80 C3AR1 (0.42) SMN1; SMN2MEN1KMT2AKLKB1PLG
SCHEMBL24864484 0.80 KLKB1 (0.47) KLKB1PLGPDFSPHK1SPHK2
SCHEMBL24701258 0.80 C3AR1 (0.42) SMN1; SMN2MEN1KMT2AKLKB1PLG
SCHEMBL17067271 0.80 KLKB1 (0.47) SMN1; SMN2KLKB1PLGPDFSPHK1
SCHEMBL17637516 0.80 LTA4H (0.56) SPHK1ROCK1MYLK4SPHK2LTA4H
SCHEMBL17661962 0.80 LTA4H (0.56) SPHK1ROCK1MYLK4SPHK2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3493853-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES Pfizer Inc (US) 2019-06-12 — — EP disclosed
WO-2018025168-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2018-02-08 — — WO disclosed
EP-2917195-A1 SPLICEOSTATIN ANALOGS Pfizer Inc. (US) 2015-09-16 — — EP disclosed
EP-2780039-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2014-09-24 — — EP disclosed
WO-2014068443-A1 SPLICEOSTATIN ANALOGS PFIZER INC. (US) 2014-05-08 — — WO disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 — — WO disclosed
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