SCHEMBL31434603

SCHEMBL31434603

COC(=O)c1cc(-c2ccccn2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
GABRA5 P31644 1/20 0.46
KDM4E B2RXH2 5/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
AXL P30530 1/20 0.44
TSHR P16473 1/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
TGFBR1 P36897 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42

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
SCHEMBL5287561 1.00 USP30 (0.47) USP30GABRA5KDM4EMAPTTHRB
SCHEMBL409282 0.85 LMNA (0.50) USP30KDM4EMAPTTSHRPOLB
SCHEMBL5280075 0.83 USP30 (0.42) USP30KDM4EMAPTPKMPOLB
SCHEMBL31039822 0.81 KDM4E (0.54) USP30KDM4EMAPTPKMPOLB
SCHEMBL3522095 0.81 KDM4E (0.54) USP30KDM4EMAPTPKMPOLB
SCHEMBL5293345 0.80 SMN1; SMN2 (0.63) KDM4EMAPTTHRBTSHRSMN1; SMN2
SCHEMBL13363886 0.77 MAPT (0.54) KDM4EMAPTAXLPOLBSMN1; SMN2
SCHEMBL18124102 0.76 USP30 (0.55) USP30KDM4EMAPTTHRBSMN1; SMN2
SCHEMBL13363878 0.76 CYP46A1 (0.49) USP30KDM4EMAPTTHRBSMN1; SMN2
SCHEMBL18987134 0.75 CYP1A2 (0.65) USP30KDM4EMAPTTHRBTSHR

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