SCHEMBL31727352

SCHEMBL31727352

O=C1Nc2cc(F)cc(F)c2C1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
GSK3B P49841 2/20 0.36
BACE1 P56817 2/20 0.36
IDO1 P14902 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
GPR174 Q9BXC1 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 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
SCHEMBL31727621 0.77 TDP1 (0.44) TDP1GSK3BBACE1IDO1KDM4E
SCHEMBL31727742 0.72 TDP1 (0.41) TDP1GSK3BBACE1IDO1KDM4E
SCHEMBL18025746 0.70 MAPT (0.49) TDP1GSK3BIDO1KDM4EALDH1A1
SCHEMBL31726983 0.70 TDP1 (0.40) TDP1GSK3BBACE1IDO1KDM4E
SCHEMBL4164922 0.66 NOTUM (0.31) GSK3B
SCHEMBL1884372 0.66 GSK3B (0.46) TDP1GSK3BIDO1GAAKMT2A
SCHEMBL30965334 0.66 KMT2A (0.48) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL29242297 0.66 KMT2A (0.48) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL8873308 0.66 MAPT (0.39) IDO1KDM4EALDH1A1MAPTHTT
SCHEMBL14621115 0.65 CDC7 (0.36) GSK3BIDO1MAPTRAB9ATP53

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-2025235362-A1 INDOLINONE COMPOUNDS AS KCa3.1 POTASSIUM CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2025-11-13 WO disclosed