SCHEMBL22115331

SCHEMBL22115331

CC(=O)NCCCNC(=O)N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL10053024 0.84 TDP1 (0.66) NAMPTTDP1KMT2AKDM4EMAPK1
SCHEMBL11745723 0.82 KMT2A (0.58) NAMPTTDP1KMT2AMAPK1HTT
SCHEMBL4035829 0.82 TDP1 (0.59) NAMPTTDP1KMT2AKDM4EMAPK1
SCHEMBL24810856 0.81 KDM4E (0.45) NAMPTTDP1KMT2AKDM4EMAPK1
SCHEMBL10520613 0.81 NAMPT (0.59) NAMPTTDP1KMT2AKDM4EMAPK1
SCHEMBL15134825 0.81 NAMPT (0.59) NAMPTTDP1KMT2AKDM4EMAPK1
SCHEMBL4578431 0.79 KMT2A (0.52) TDP1KMT2AKDM4EHTTMEN1
SCHEMBL4578439 0.79 KMT2A (0.52) TDP1KMT2AKDM4EHTTMEN1
SCHEMBL10272740 0.79 TDP1 (0.62) TDP1KMT2AKDM4EHTTMEN1
SCHEMBL19884756 0.79 ALDH1A1 (0.47) NAMPTTDP1KMT2AKDM4EMAPK1

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-2020123836-A2 HERBOXIDIENE SPLICING MODULATOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-06-18 WO disclosed