SCHEMBL28954366

SCHEMBL28954366

O=C=Nc1ccc(N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 3/20 0.44
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 3/20 0.44
RAB9A P51151 3/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL992057 0.98 ALDH1A1 (0.53) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2717608 0.85 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2TSHRCYP3A4
SCHEMBL519497 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2TSHRCYP3A4
SCHEMBL28040784 0.80 GAA (0.57) KDM4ESMN1; SMN2TSHRCYP3A4LMNA
SCHEMBL4759852 0.80 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2TSHRCYP3A4
SCHEMBL28462797 0.80 P2RY6 (0.45) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3047529 0.79 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL13664661 0.78 ALDH1A1 (0.47) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8544688 0.78 ALDH1A1 (0.47) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
Cyclohexane SCHEMBL1006843 0.78 CYP3A4 (0.61) ALDH1A1TSHRCYP3A4TDP1HPGD

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-115700271-A Semiconductor nanoparticle-ligand complex, method for producing same, photosensitive resin composition, and optical film 德山新勒克斯有限公司 2023-02-07 CN disclosed