SCHEMBL23905749

SCHEMBL23905749

O=C(O)c1cc(OCC2CC2)c2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
KMO O15229 1/20 0.43
NR1H4 Q96RI1 3/20 0.43
PDE4D Q08499 5/20 0.43
LMNA P02545 2/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDE4A P27815 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
XDH P47989 2/20 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
SCHEMBL23905747 0.84 TP53 (0.42) PDE4DLMNAMETAP2METAP1HDAC6
SCHEMBL29620722 0.82 LMNA (0.44) KMOPDE4DLMNAMETAP2METAP1
SCHEMBL23195592 0.82 LMNA (0.44) KMOPDE4DLMNAMETAP2METAP1
SCHEMBL18031358 0.80 MEN1 (0.48) PDE4DLMNAMETAP2METAP1HDAC6
SCHEMBL20515873 0.80 PDE4B (0.46) MAP4K4KMONR1H4PDE4DPDE4A
SCHEMBL23195619 0.79 MAPT (0.48) LMNAMETAP2METAP1HDAC6PDE4A
SCHEMBL16517662 0.78 KMT2A (0.52) LMNAMETAP2METAP1HDAC6PDE4A
SCHEMBL16620695 0.78 MEN1 (0.50) LMNAMETAP2METAP1HDAC6PDE4A
SCHEMBL30744820 0.77 MEN1 (0.55) LMNAPDE4AKDM4EPOLBMEN1
SCHEMBL2485757 0.76 MCHR1 (0.58) PDE4DLMNAPDE4AKDM4EPDE4B

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed