SCHEMBL22912201

SCHEMBL22912201

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SDHB P21912 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 4/20 0.45
PDK2 Q15119 1/20 0.45
ERN1 O75460 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL29976084 0.86 MEN1 (0.57) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL20985636 0.86 MEN1 (0.57) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL19805752 0.85 MEN1 (0.53) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL29975831 0.80 SDHB (0.72) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL19805620 0.80 SDHB (0.72) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL29976351 0.80 MEN1 (0.51) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL19806057 0.80 MEN1 (0.51) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL22912193 0.78 SDHB (0.60) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL22912197 0.78 MEN1 (0.49) MEN1KMT2ASDHBALDH1A1MAPK1
SCHEMBL3557728 0.78 LMNA (0.55) MEN1KMT2ASDHBALDH1A1MAPK1

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed