SCHEMBL28396124

SCHEMBL28396124

Cc1cc(C(=O)c2ccc(-c3ccccc3)cc2)c(C)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.54
ATM Q13315 1/20 0.54
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.45
AKR1C3 P42330 1/20 0.45
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EGFR P00533 1/20 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
SCHEMBL310387 0.90 AKR1C3 (0.48) ATMMAPTALDH1A1AKR1C3MEN1
SCHEMBL6465028 0.85 CDC25B (0.56) CDC25BATMMAPTSMN1; SMN2ALDH1A1
SCHEMBL28335353 0.81 HTT (0.55) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL27873566 0.80 NPSR1 (0.44) CDC25BATMMAPTSMN1; SMN2ALDH1A1
SCHEMBL30479068 0.79 CDC25B (0.58) CDC25BATMMAPTSMN1; SMN2ALDH1A1
SCHEMBL5160992 0.79 CDC25B (0.58) CDC25BATMMAPTSMN1; SMN2ALDH1A1
SCHEMBL10439590 0.79 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL30516312 0.79 CDC25B (0.67) CDC25BATMMAPTSMN1; SMN2ALDH1A1
SCHEMBL6018419 0.79 CDC25B (0.67) CDC25BATMMAPTSMN1; SMN2ALDH1A1
SCHEMBL28359967 0.78 BCL2 (0.46) CDC25BATMMAPTSMN1; SMN2ALDH1A1

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-107075000-B Polycyclic photoinitiators IGM集团公司 2020-01-31 CN disclosed