SCHEMBL31398643

SCHEMBL31398643

O=C(Nc1cccc2cccnc12)c1ccc(F)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.73
HTT P42858 1/20 0.70
HDAC6 Q9UBN7 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.66
GAA P10253 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPT P10636 6/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
TP53 P04637 2/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
POLB P06746 1/20 0.59
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL18257152 1.00 KDR (0.73) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL18257156 0.85 KDR (0.74) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL17552183 0.85 HDAC6 (0.77) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL29911198 0.85 HDAC6 (0.77) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL29205661 0.84 KDR (1.00) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL18257154 0.84 TDP1 (0.74) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL6645868 0.82 HTT (1.00) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL29647754 0.81 HDAC6 (1.00) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL15270551 0.81 HDAC6 (0.79) KDRHTTHDAC6L3MBTL1GAA
SCHEMBL19631488 0.81 HDAC6 (1.00) KDRHTTHDAC6L3MBTL1GAA

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-2025039979-A1 PROTEIN ARGININE METHYLTRANSFERASE-5 INHIBITOR AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-02-27 WO disclosed