SCHEMBL29976351

SCHEMBL29976351

CSc1nc(-c2cccc(O)c2)cc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 4/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ADRB2 P07550 3/20 0.43
SDHB P21912 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL19806057 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL22912197 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL22912193 0.84 SDHB (0.60) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL3557728 0.84 LMNA (0.55) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL20985636 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL29976084 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL19805752 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL5593203 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL19805940 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL22912201 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPK1

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