SCHEMBL29901176

SCHEMBL29901176

Nc1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDK2 Q15119 6/20 0.42
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
PTPRC P08575 1/20 0.38
ADORA2A P29274 1/20 0.38
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TSHR P16473 3/20 0.35

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
SCHEMBL15618159 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL30484151 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL782537 0.89 ALDH1A1 (0.56) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL5358083 0.88 MEN1 (0.55) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL29878480 0.88 MEN1 (0.55) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL20959849 0.85 KDM4E (0.43) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL7048376 0.85 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL29791648 0.83 MEN1 (0.48) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL9348335 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL18319518 0.82 MEN1 (0.68) SMN1; SMN2KDM4EMEN1LMNAMAPT

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-115003654-A Material for electronic devices 默克专利有限公司 2022-09-02 CN disclosed