SCHEMBL23019130

SCHEMBL23019130

Cc1c(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)c(N)c(C(=O)OCc2ccccc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
TDP1 Q9NUW8 3/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.49
STAT1 P42224 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
PRKCZ Q05513 2/20 0.46

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
SCHEMBL23812473 0.90 TDP1 (0.61) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL17965761 0.86 TDP1 (0.61) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL20078371 0.84 RAB9A (0.55) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL20620358 0.83 RAB9A (0.53) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL7323211 0.83 TDP1 (0.53) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL23373128 0.81 RAB9A (0.52) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL22812368 0.81 TDP1 (0.47) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL26003426 0.79 RAB9A (0.53) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL24512522 0.79 TDP1 (0.56) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL31638862 0.79 TDP1 (0.56) RAB9AKMT2ANPC1TDP1SLC6A2

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-3605631-B1 ORGANIC SEMICONDUCTOR ELEMENT, ORGANIC SEMICONDUCTOR COMPOSITION, METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM, AND COMPOUND AND POLYMER USING THE SAME FUJIFILM CORP (JP) 2021-02-24 EP disclosed