SCHEMBL7651807

SCHEMBL7651807

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.39
GBA1 P04062 1/20 0.38
F10 P00742 4/20 0.37
F2 P00734 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
APAF1 O14727 1/20 0.35
NOD2 Q9HC29 1/20 0.35
PTGDR Q13258 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7655660 0.88 LSS (0.48) LSSSMN1; SMN2GBA1F10F2
SCHEMBL7651810 0.81 LSS (0.63) LSSSMN1; SMN2GBA1F10KDM4E
SCHEMBL6182258 0.76 LSS (1.00) LSSF10PKMALDH1A1
SCHEMBL7655628 0.75 HRH4 (0.45) LSSF10
Hydrochloric Acid SCHEMBL7688789 0.74 HRH4 (0.44) LSSF10
SCHEMBL6977387 0.74 LSS (0.76) LSSSMN1; SMN2GBA1KDM4EMEN1
SCHEMBL8118785 0.74 F10 (0.48) LSSF10
SCHEMBL7682080 0.74 LSS (0.54) LSSGBA1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7050686 0.73 F10 (0.47) LSSF10
SCHEMBL6977994 0.73 LSS (0.93) LSSHPGDPKMALDH1A1

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