SCHEMBL18848622

SCHEMBL18848622

NCCCC[C@H](NC(=O)c1ccc(F)cc1F)C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
BCL3 P20749 1/20 0.43
DPP9 Q86TI2 1/20 0.43
KDM1A O60341 3/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TGM2 P21980 4/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL16455184 0.89 SLC6A2 (0.45) KMT2ABCL3KDM1ATGM2CNR1
SCHEMBL16455182 0.87 KDM1A (0.53) KMT2AKDM1ATGM2MEN1MAPT
SCHEMBL16455199 0.80 KMT2A (0.49) KMT2ATGM2NPC1P2RY12MAPT
SCHEMBL18848468 0.78 CTSB (0.55) KMT2AKDM1ANPC1MEN1P2RY12
SCHEMBL18059540 0.77 KDM1A (0.44) KDM1ATGM2
SCHEMBL18848623 0.77 KDM1A (0.44) KDM1ATGM2
SCHEMBL16455163 0.76 KDM1A (0.53) KDM1ATGM2
SCHEMBL16455166 0.76 KDM1A (0.59) KDM1ATGM2
SCHEMBL16447253 0.74 KDM1A (0.53) KDM1A
SCHEMBL18848746 0.74 KDM1A (0.58) 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