SCHEMBL18848747

SCHEMBL18848747

C=C(N[C@@H](CSCCN)C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.46
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
PLG P00747 2/20 0.42
POLB P06746 1/20 0.41
TGM2 P21980 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 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
SCHEMBL18848613 0.90 KDM1A (0.46) KDM1AALDH1A1
SCHEMBL18848469 0.89 POLB (0.46) KDM1APOLB
SCHEMBL16455162 0.79 MMP8 (0.40) ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL18848617 0.77 KDM1A (0.63) KDM1AALDH1A1TGM2
SCHEMBL18848758 0.76 KDM1A (0.45) KDM1AALDH1A1POLB
SCHEMBL16455183 0.76 KDM1A (0.64) KDM1AALDH1A1TGM2
SCHEMBL16455067 0.75 HPGD (0.47) ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL16455069 0.75 KDM1A (0.51) KDM1A
SCHEMBL16455031 0.72 NPC1 (0.47) ALDH1A1TSHRSMN1; SMN2
SCHEMBL20545683 0.72 KDM1A (0.62) 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