SCHEMBL19634418

SCHEMBL19634418

NCc1ccc(C(=O)NCC(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
SPHK2 Q9NRA0 1/20 0.57
MCHR1 Q99705 1/20 0.51
LOXL2 Q9Y4K0 2/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
TPSAB1 Q15661 3/20 0.47
F10 P00742 1/20 0.47
PLAU P00749 2/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44

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
SCHEMBL29119262 0.86 SPHK2 (0.51) HDAC3HDAC6NCOR2SPHK2MCHR1
SCHEMBL19634406 0.85 KDM4E (0.68) HDAC3HDAC6NCOR2SPHK2MCHR1
SCHEMBL13450014 0.85 SPHK2 (0.54) HDAC3HDAC6NCOR2SPHK2CA1
SCHEMBL8269147 0.84 HDAC6 (0.59) HDAC3HDAC6NCOR2SPHK2MCHR1
SCHEMBL13009911 0.82 HDAC6 (0.68) HDAC3HDAC6NCOR2MCHR1LOXL2
SCHEMBL7119894 0.81 HDAC6 (0.66) HDAC3HDAC6NCOR2CA1CA2
SCHEMBL1913984 0.81 KDM4E (0.72) HDAC3HDAC6SPHK2CA1CA2
SCHEMBL19634398 0.80 HDAC3 (0.54) HDAC3HDAC6NCOR2MCHR1LOXL2
SCHEMBL19634443 0.80 HDAC1 (0.66) HDAC3HDAC6SPHK2CA1CA2
SCHEMBL23254636 0.79 CYP1A2 (0.68) HDAC3HDAC6NCOR2SPHK2MCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262819-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS Beam Therapeutics Inc. (US) 2023-10-25 EP disclosed
WO-2022140252-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. (US) 2022-06-30 WO disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed