SCHEMBL28610595

SCHEMBL28610595

CCCC(C)(c1ccccc1O)n1nc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 3/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.32
HTR1A P08908 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9176958 0.75 ALDH1A1 (0.40) ALDH1A1TDP1TSHRNPC1LMNA
SCHEMBL1581665 0.75 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHSP90AA1HSP90AB1
SCHEMBL22513528 0.73 KDM4E (0.34) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL19738627 0.73 KDM4E (0.34) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL983814 0.71 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHSP90AA1HSP90AB1
SCHEMBL984525 0.71 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHSP90AA1HSP90AB1
SCHEMBL23346142 0.70 SLC9A1 (0.33) ALDH1A1KDM4EGAAHTTHPGD
SCHEMBL981202 0.69 TSHR (0.52) ALDH1A1TDP1TSHRHSP90AA1HSP90AB1
SCHEMBL6546251 0.69 TSHR (0.52) ALDH1A1TDP1TSHRHSP90AA1HSP90AB1
SCHEMBL5831906 0.69 TSHR (0.52) ALDH1A1TDP1TSHRHSP90AA1HSP90AB1

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-108431136-B Polyimide material, method for producing same, and polyimide precursor composition used for production thereof 宇部兴产株式会社 2021-07-30 CN disclosed