SCHEMBL22504302

SCHEMBL22504302

Cc1cc2c(ccc3ccsc32)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 5/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
CYP2A6 P11509 3/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15001039 0.79 ALDH1A1 (0.41) ALDH1A1MAPTPIM1PIM2
SCHEMBL19130676 0.78 MAPT (0.33) MAPTTSHRCYP2A6NPC1RAB9A
SCHEMBL18133641 0.76 MAPT (0.32) MAPTTSHRCYP2A6
SCHEMBL12279085 0.76 MAPT (0.32) MAPTTSHRCYP2A6
SCHEMBL18309097 0.75 MAPT (0.44) ALDH1A1MAPTTSHRKDM4EGAA
SCHEMBL12269059 0.75 MAPT (0.39) ALDH1A1MAPTTSHRKDM4EGAA
SCHEMBL4416724 0.75 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP2A6L3MBTL1
SCHEMBL4416716 0.75 MAPT (0.44) ALDH1A1MAPTTSHRKDM4EGAA
SCHEMBL4416728 0.75 CYP2A6 (0.33) MAPTTSHRCYP2A6
SCHEMBL12269018 0.74 ALDH1A1 (0.44) ALDH1A1MAPT

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
WO-2020203594-A1 FLUORENE DERIVATIVE AND USE THEREOF 日産化学株式会社 2020-10-08 WO disclosed