SCHEMBL8917696

SCHEMBL8917696

CSc1ccc2c(ccc3c(C(F)F)nn(NS(=O)(=O)c4ccccc4)c32)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8918176 0.86 CCR3 (0.36) MEN1KMT2A
SCHEMBL8918039 0.85 HSD17B1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8917789 0.84 HTR6 (0.38) ALDH1A1TSHRLMNAL3MBTL1SMN1; SMN2
SCHEMBL8916300 0.84 MEN1 (0.39) GAAL3MBTL1SMN1; SMN2HTR6MEN1
SCHEMBL8917165 0.83 CYP1A2 (0.31) LMNA
SCHEMBL8917402 0.81 SLC40A1 (0.40) MMP2MMP3MEN1KMT2A
SCHEMBL8917377 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTR6KMT2A
SCHEMBL8920824 0.75 SLC40A1 (0.37) GAAALDH1A1POLB
SCHEMBL8917762 0.75 KAT6A (0.38) GAAHPGDALDH1A1L3MBTL1HTR6
SCHEMBL8916155 0.74 HTR6 (0.36) HPGDALDH1A1TSHRL3MBTL1HTR6

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed