SCHEMBL31434752

SCHEMBL31434752

O=C(O)c1coc(Cc2ccc(-c3ccc(F)cc3)nn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 3/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
CA12 O43570 1/20 0.35
ALPL P05186 1/20 0.35
RPA1 P27694 1/20 0.35
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL31434723 0.84 GABRA2 (0.44) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL31434850 0.81 LIPG (0.39) HDAC1HDAC8HDAC6LMNAKDM4E
SCHEMBL31434763 0.80 CLK2 (0.38)
SCHEMBL31434599 0.79 HTR2A (0.36) SLC5A2S1PR1S1PR3LMNAALDH1A1
SCHEMBL31434838 0.77 KDM4E (0.43) LMNAKDM4EALDH1A1POLBKMT2A
SCHEMBL31434703 0.77 RAB9A (0.45) HDAC1HDAC8HDAC6LMNAALDH1A1
SCHEMBL31434798 0.75 ECE1 (0.38) HPGDRAB9A
SCHEMBL31434624 0.74 ABL1 (0.39) S1PR1
SCHEMBL31434569 0.73 ALOX5AP (0.32)
SCHEMBL31434614 0.72 P2RY2 (0.32) HDAC6

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-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed