SCHEMBL18848749

SCHEMBL18848749

NCCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.61
CTSB P07858 1/20 0.54
HPGDS O60760 1/20 0.52

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
SCHEMBL18023290 0.97 KDM1A (0.61) KDM1ACTSBHPGDS
SCHEMBL18848695 0.94 KDM1A (0.54) KDM1ACTSB
SCHEMBL18848748 0.89 CTSB (0.58) KDM1ACTSBHPGDS
SCHEMBL16455202 0.88 KDM1A (0.65) KDM1A
SCHEMBL16455072 0.88 KDM1A (0.60) KDM1ACTSBHPGDS
SCHEMBL18848471 0.88 CTSB (0.57) KDM1ACTSBHPGDS
SCHEMBL18016675 0.86 KDM1A (0.61) KDM1A
SCHEMBL18848468 0.86 CTSB (0.55) KDM1ACTSBHPGDS
SCHEMBL18023305 0.85 KDM1A (0.65) KDM1A
SCHEMBL18023343 0.83 KDM1A (0.69) 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