SCHEMBL31445332

SCHEMBL31445332

O=C(O)C1(c2ccncc2OC(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.36
GAA P10253 1/20 0.34
PDE4A P27815 7/20 0.34
MAPT P10636 3/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL28040741 0.75 KDM4E (0.49) GAAMAPTLMNAKMT2AKDM4E
SCHEMBL31445078 0.72 GAA (0.37) GAAPDE4AMAPTKMT2AKDM4E
SCHEMBL31447055 0.72 HDAC4 (0.39) LPAR1GAAPOLBNPC1SLC22A12
SCHEMBL31445947 0.71 SMN1; SMN2 (0.39) LPAR1PDE4AMAPTPDE4BPDE4C
SCHEMBL31445466 0.71 TRPV4 (0.44) LPAR1MAPTKDM4ENPC1NFKB1
SCHEMBL20790211 0.71 MEN1 (0.43) LPAR1GAAMAPTLMNAKMT2A
SCHEMBL31045776 0.70 MAPT (0.43) MAPTLMNAKMT2APOLBKDM4E
SCHEMBL3932211 0.69 KDM4C (0.44) GAAPDE4AMAPTPDE4BPDE4C
SCHEMBL28040760 0.69 ALDH1A1 (0.43) GAAMAPTLMNAKMT2APOLB
SCHEMBL25333703 0.68 TDP1 (0.46) GAAPDE4AMAPTPDE4BPDE4C

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed