SCHEMBL18848748

SCHEMBL18848748

NCCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.58
HPGDS O60760 1/20 0.56
KDM1A O60341 5/20 0.52
CPB2 Q96IY4 1/20 0.48
P2RY12 Q9H244 3/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRM1 Q13255 1/20 0.47
UTS2R Q9UKP6 1/20 0.47
CASR P41180 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL18848471 0.99 CTSB (0.57) CTSBHPGDSKDM1ACPB2P2RY12
SCHEMBL16455072 0.90 KDM1A (0.60) CTSBHPGDSKDM1AP2RY12
SCHEMBL18848468 0.90 CTSB (0.55) CTSBHPGDSKDM1AP2RY12HPGD
SCHEMBL18848749 0.89 KDM1A (0.61) CTSBHPGDSKDM1A
SCHEMBL20913184 0.88 KDM1A (0.52) CTSBKDM1AP2RY12HPGDMAPK1
SCHEMBL20913183 0.88 KDM1A (0.52) CTSBKDM1AP2RY12HPGDMAPK1
SCHEMBL16455183 0.86 KDM1A (0.64) CTSBHPGDSKDM1AP2RY12
SCHEMBL16455166 0.86 KDM1A (0.59) KDM1ACPB2
SCHEMBL18023290 0.85 KDM1A (0.61) CTSBHPGDSKDM1A
SCHEMBL18016053 0.84 KDM1A (0.55) HPGDSKDM1AP2RY12HPGDMAPK1

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