SCHEMBL31434741

SCHEMBL31434741

CCOC(=O)c1coc(Cc2cc(-c3cccnc3)on2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
DCTPP1 Q9H773 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL31434772 0.89 PPARA (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31434818 0.88 CDC7 (0.44) CDC7DBF4MMP2MMP13MMP14
SCHEMBL31434778 0.86 SCD (0.46) RAB9ANPC1POLBKMT2AMAPT
SCHEMBL31434631 0.83 CYP2C9 (0.47) CDC7DBF4MMP2MMP13MMP14
SCHEMBL31434844 0.83 TP53 (0.48) RAB9ANPC1KDM4EPOLBKMT2A
SCHEMBL7424477 0.82 L3MBTL1 (0.52) CDC7DBF4MMP2MMP13MMP14
SCHEMBL30046162 0.82 L3MBTL1 (0.52) CDC7DBF4MMP2MMP13MMP14
SCHEMBL31434685 0.81 MAPT (0.48) RAB9ANPC1KDM4EPOLBKMT2A
SCHEMBL12571350 0.76 CDC7 (0.49) CDC7DBF4MMP2MMP13MMP14
SCHEMBL31434796 0.74 ALDH1A1 (0.56) RAB9ANPC1KMT2AMEN1MAPT

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