SCHEMBL29953533

SCHEMBL29953533

OB(O)c1cc(CSc2ccccc2F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 2/20 0.37
MAOB P27338 1/20 0.36
POLB P06746 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC12A2 P55011 1/20 0.34
SLC12A5 Q9H2X9 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL29953959 0.88 RAB9A (0.41) PTPRGMAOBPOLBNPC1RAB9A
SCHEMBL2558088 0.87 PTPRG (0.43) PTPRGMAOBPOLBNPC1RAB9A
SCHEMBL29951557 0.78 RAB9A (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29956878 0.77 MAOA (0.46) MAOBPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2556038 0.76 MEN1 (0.49) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29957048 0.76 MEN1 (0.47) POLBRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2562700 0.75 DAO (0.40) MAOBPOLBKMT2ATDP1L3MBTL1
SCHEMBL29952254 0.75 DAO (0.40) MAOBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29950694 0.75 CXCR2 (0.40) MAOBPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL28023477 0.73 POLB (0.61) MAOBPOLBNPC1RAB9ASMN1; 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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed