SCHEMBL29976648

SCHEMBL29976648

CSc1nc(-c2ccccc2O)cc(C(F)(F)F)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
POLB P06746 2/20 0.63
MAPK1 P28482 4/20 0.53
TSHR P16473 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
SDHB P21912 2/20 0.42
ADRB2 P07550 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 3/20 0.41

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
SCHEMBL19806062 0.84 SDHB (0.59) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL29977085 0.84 MEN1 (0.44) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL19805929 0.84 MEN1 (0.44) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL19805783 0.82 MEN1 (0.42) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL20985676 0.81 MEN1 (0.51) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL19805738 0.78 SDHB (0.67) LMNAPOLBMAPK1TSHRMEN1
SCHEMBL20985728 0.78 SDHB (0.49) LMNAPOLBMAPK1TSHRMEN1
SCHEMBL19806057 0.76 MEN1 (0.51) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL29976351 0.76 MEN1 (0.51) LMNAPOLBMAPK1MEN1KMT2A
SCHEMBL20985721 0.76 MEN1 (0.40) LMNAPOLBMAPK1MEN1KMT2A

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed