SCHEMBL29855959

SCHEMBL29855959

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ MAOB P27338 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM1B Q8NB78 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ EPHA2 P29317 2/20 0.41
▸ ACE P12821 2/20 0.40
▸ REN P00797 1/20 0.40
▸ OPRM1 P35372 5/20 0.39
▸ OPRK1 P41145 5/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ RAMP3 O60896 1/20 0.38
▸ CALCR P30988 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
SCHEMBL29548952 0.95 KDM1A (0.48) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29442098 0.93 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL7351817 0.93 MAPK8 (0.41) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL7351804 0.93 MAPK8 (0.41) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29607893 0.92 KDM1A (0.48) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30658576 0.92 KDM1A (0.51) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL31031628 0.90 MAPK8 (0.47) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL3865485 0.89 MAPK8 (0.50) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL31165809 0.89 MAPK8 (0.45) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL3215690 0.89 MAPK8 (0.51) KDM1AMAPK8MAPK9MAPK10MAOB

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-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO disclosed
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