SCHEMBL28078019

SCHEMBL28078019

CC(=O)[CH]c1ccc(N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.53
MAPT P10636 9/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 3/20 0.51
HTT P42858 1/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
EPHX1 P07099 1/20 0.49
MAOB P27338 1/20 0.49
GSK3B P49841 1/20 0.49
AKR1C3 P42330 1/20 0.47

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
SCHEMBL28078042 0.84 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3802062 0.83 MAPT (0.65) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL2027015 0.83 MAPT (0.65) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL2028974 0.80 MAPT (0.57) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL2028976 0.80 MAPT (0.57) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11487173 0.77 GSK3B (0.54) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11487174 0.77 GSK3B (0.54) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL334850 0.77 MAPT (0.74) PRKDCMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18694390 0.76 MEN1 (0.52) PRKDCMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL18694393 0.76 MEN1 (0.52) PRKDCMAPTALDH1A1SMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635470-B Chromene compounds and solidification compound 株式会社德山 2016-12-21 CN disclosed
CN-103517899-B Chromene compounds 株式会社德山 2016-06-15 CN disclosed