SCHEMBL23746995

SCHEMBL23746995

Cc1ccc2c(NS(=O)(=O)N3CCCC3)ncnn12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.43
EGFR P00533 2/20 0.43
KDR P35968 2/20 0.43
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3C3 Q8NEB9 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
SCHEMBL23747030 0.84 FKBP1A (0.43) FKBP1ACHRNA7HTR3AGLAKMT2A
SCHEMBL23746997 0.78 EGFR (0.43) EGFRKDRCHRNA7HTR3AALDH1A1
SCHEMBL23746999 0.77 EGFR (0.42) EGFRKDRCHRNA7HTR3AALDH1A1
SCHEMBL23746994 0.76 EGFR (0.45) EGFRKDRALDH1A1LMNAHPGD
SCHEMBL23746986 0.75 EGFR (0.44) EGFRKDRCHRNA7HTR3AALDH1A1
SCHEMBL23747097 0.72 KDM4E (0.47) EGFRKDRKMT2AALDH1A1HPGD
SCHEMBL19864853 0.72 EGFR (0.55) EGFRKDRCHRNA7HTR3AGLA
SCHEMBL23747000 0.71 EGFR (0.47) EGFRKDRKMT2AALDH1A1KDM4E
SCHEMBL23746992 0.71 EGFR (0.42) EGFRKDRCHRNA7HTR3A
SCHEMBL23747019 0.71 EGFR (0.47) EGFRKDRKMT2ALMNAHSD17B10

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-2021158516-A1 IRE1α MODULATORS AND USES THEREOF NIMBUS IASO, INC. (US) 2021-08-12 WO disclosed