SCHEMBL23637467

SCHEMBL23637467

c1ccc2c(c1)ccc1c3cccc(Nc4ccc5c(c4)sc4ccccc45)c3sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
FADS1 O60427 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CDC25B P30305 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 4/20 0.38
CYP1B1 Q16678 4/20 0.38
GPR3 P46089 1/20 0.37
PTGIR P43119 1/20 0.36
CYP1A2 P05177 2/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL18201519 0.89 MAPT (0.45) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL24156201 0.88 MAPT (0.44) MAPK14ALDH1A1HPGDCYP3A4ATM
SCHEMBL17383282 0.86 MAPK14 (0.51) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL17283591 0.86 ALDH1A1 (0.54) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL18201429 0.83 ALDH1A1 (0.45) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL22891770 0.82 ALDH1A1 (0.61) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL18311793 0.82 PTGIR (0.51) FADS1ALDH1A1HPGDCDC25BTP53
SCHEMBL17383283 0.80 CYP1A1 (0.48) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL17383306 0.80 ALDH1A1 (0.50) MAPK14FADS1ALDH1A1HPGDCDC25B
SCHEMBL31271660 0.80 ALDH1A1 (0.50) MAPK14FADS1ALDH1A1HPGDCDC25B

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-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed