SCHEMBL31434616

SCHEMBL31434616

CCOC(=O)c1coc(Cc2ccc(-c3ncco3)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
CYP1A2 P05177 1/20 0.36
TARBP2 Q15633 6/20 0.34
LTA4H P09960 2/20 0.34
NLRP3 Q96P20 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PDCD4 Q53EL6 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA2 P47869 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL31434600 0.85 CYP1A2 (0.40) CYP1A2TARBP2PDGFRBPDGFRANPC1
SCHEMBL31434709 0.85 HPGDS (0.38) LTA4H
SCHEMBL31434754 0.83 GABRA2 (0.45) CYP1A2NPC1RAB9AHSD17B10GABRA2
SCHEMBL31434586 0.82 CYP1A2 (0.36) CYP1A2TARBP2NLRP3PDGFRBPDGFRA
SCHEMBL31434705 0.82 GABRA2 (0.41) CYP1A2TARBP2NLRP3NPC1LMNA
SCHEMBL31434740 0.81 CYP1A2 (0.36) CYP1A2NLRP3PDGFRBPDGFRAGABRA2
SCHEMBL31434635 0.81 CYP1A2 (0.36) CDC7DBF4CYP1A2NLRP3PDGFRB
SCHEMBL31434593 0.80 SYK (0.36) CDC7DBF4CYP1A2NLRP3NPC1
SCHEMBL31434641 0.80 GABRA2 (0.40) CDC7DBF4NLRP3NPC1RAB9A
SCHEMBL31434804 0.78 CYP1A2 (0.39) CYP1A2NLRP3NPC1LMNARAB9A

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