SCHEMBL30780936

SCHEMBL30780936

Cn1ccnc1C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.49
ATP1B1 P05026 1/20 0.49
ATP1A3 P13637 1/20 0.49
ATP1B2 P14415 1/20 0.49
ATP1A2 P50993 1/20 0.49
ATP1B3 P54709 1/20 0.49
FXYD2 P54710 1/20 0.49
ATP1A4 Q13733 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
VDR P11473 3/20 0.44
MAPT P10636 1/20 0.43
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.39
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29113087 0.81 KMT2A (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL31147714 0.68 MAPT (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL28305771 0.67 ALDH1A1 (0.58) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3401057 0.66 KDM4E (0.67) KDM4EKMT2AMEN1MAPTL3MBTL1
SCHEMBL8359975 0.66 MAPT (0.52) KDM4EKMT2AMEN1MAPTL3MBTL1
SCHEMBL14960652 0.66 KDM4E (0.46) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29065895 0.66 KDM4E (0.61) KDM4EKMT2AMEN1MAPTL3MBTL1
SCHEMBL21392852 0.65 KDM4E (0.52) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL950298 0.65 KDM4E (0.65) KDM4EKMT2AMEN1MAPTL3MBTL1
SCHEMBL30824582 0.65 KDM4E (0.65) KDM4EKMT2AMEN1MAPTL3MBTL1

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed