SCHEMBL31434853

SCHEMBL31434853

CCOC(=O)c1coc(Cc2ccc(-c3nccs3)nn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.35
CDC7 O00311 4/20 0.35
DBF4 Q9UBU7 4/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
IL4I1 Q96RQ9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31434798 0.85 ECE1 (0.38) RAB9AIL4I1ADORA2AADORA1HPGD
SCHEMBL31434828 0.84 RAB9A (0.38) MAPTNPC1RAB9APOLBPKM
SCHEMBL31434561 0.82 LMNA (0.46) MAPTNPC1RAB9APOLBPKM
SCHEMBL31434723 0.78 GABRA2 (0.44) MAPTNPC1RAB9APKMNPSR1
SCHEMBL31434610 0.77 CYP1A2 (0.41) MAPTNPC1RAB9APOLBLMNA
SCHEMBL31434683 0.75 HCRTR2 (0.41) MAPTNPC1RAB9APOLBRXFP1
SCHEMBL31434700 0.73 CYP1A2 (0.37) MAPTNPC1RAB9APOLBNPSR1
SCHEMBL30363842 0.71 CYP1A2 (0.59) MAPTNPC1RAB9APOLBPKM
SCHEMBL31434600 0.71 CYP1A2 (0.40) MAPTNPC1RAB9ALMNACYP1A2
SCHEMBL31434793 0.71 NPC1 (0.46) MAPTNPC1RAB9APOLBNPSR1

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