SCHEMBL22299151

SCHEMBL22299151

O=C(CCCC1CCCCC1)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 4/20 0.50
EPHX1 P07099 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
RORC P51449 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL22299156 0.87 NPC1 (0.51) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31576979 0.87 NPC1 (0.51) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL22299152 0.86 RORC (0.55) ALDH1A1TDP1MEN1KMT2AUSP2
SCHEMBL22299149 0.82 KCNQ2 (0.50) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31576873 0.82 KCNQ2 (0.50) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL22299232 0.81 HDAC3 (0.53) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL31577112 0.77 HDAC1 (0.51) KDM4EALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL22299460 0.77 HDAC1 (0.51) KDM4EALDH1A1TDP1L3MBTL1EPHX2
SCHEMBL22299372 0.75 HDAC1 (0.57) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL31577159 0.73 RORC (0.49) TDP1MEN1KMT2AUSP2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP claimed
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP disclosed
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed