SCHEMBL28907110

SCHEMBL28907110

CCOC(=O)[C@H]1CCC(c2cc(F)cc(Cl)c2)=N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.44
LMNA P02545 2/20 0.38
CHRM3 P20309 8/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 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
SCHEMBL2585920 0.91 XPO1 (0.39) XPO1LMNAALDH1A1MEN1KMT2A
SCHEMBL2346553 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL2346544 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL28674985 0.82 HSD17B10 (0.36) ALDH1A1TDP1
SCHEMBL2584512 0.82 TRPM8 (0.46) LMNAALDH1A1TDP1
SCHEMBL28674986 0.82 HSD17B10 (0.36) ALDH1A1TDP1
SCHEMBL2586557 0.82 TRPM8 (0.46) XPO1LMNAALDH1A1MEN1KMT2A
SCHEMBL2584740 0.81 LMNA (0.53) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22040222 0.81 NR3C2 (0.43) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL3625341 0.81 LMNA (0.53) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed