SCHEMBL18848613

SCHEMBL18848613

C=C(N[C@@H](CSCCN)C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.46
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL26148600 0.91 KDM1A (0.54) KDM1AALDH1A1L3MBTL1
SCHEMBL18848747 0.90 KDM1A (0.46) KDM1AALDH1A1
SCHEMBL18848758 0.87 KDM1A (0.45) KDM1AALDH1A1
SCHEMBL16455123 0.84 PHGDH (0.40) KDM1AALDH1A1L3MBTL1
SCHEMBL26148643 0.82 KDM1A (0.55) KDM1AALDH1A1
SCHEMBL18848469 0.78 POLB (0.46) KDM1A
SCHEMBL16455197 0.78 KDM1A (0.48) KDM1A
SCHEMBL18848609 0.77 KDM1A (0.47) KDM1A
SCHEMBL16455168 0.76 KDM1A (0.47) KDM1A
SCHEMBL20781336 0.76 KDM1A (0.65) KDM1A

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-2017079753-A1 LYSINE-SPECIFIC HISTONE DEMETHYLASE AS A NOVEL THERAPEUTIC TARGET IN MYELOPROLIFERATIVE NEOPLASMS IMAGO BIOSCIENCES, INC. (US) 2017-05-11 WO disclosed