SCHEMBL7658281

SCHEMBL7658281

Cc1nccc(N2CCC(O)(CN3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GBA1 P04062 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL7682080 0.82 LSS (0.54) LSSKDM4EALDH1A1MAPTMEN1
SCHEMBL7655662 0.74 LSS (0.49) LSSKDM4EALDH1A1MAPTMEN1
SCHEMBL7655660 0.73 LSS (0.48) LSSSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9514839 0.73 GBA1 (0.65) LSSSMN1; SMN2KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7654158 0.73 HRH4 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7654098 0.72 L3MBTL1 (0.45) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
SCHEMBL3599373 0.71 IKBKB (0.67)
SCHEMBL8123271 0.70 IKBKB (0.45) KDM4EALDH1A1MAPTHSD11B1ABL1
SCHEMBL6981493 0.69 LSS (0.69) LSSSMN1; SMN2KDM4EMAPTMEN1
SCHEMBL3613226 0.69 KDM4E (0.74) SMN1; SMN2KDM4EALDH1A1MAPTMEN1

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
US-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed