SCHEMBL14354577

SCHEMBL14354577

COC(=O)Cc1ccc(CC(=O)OC)c(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.41
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL12075221 0.82 KDM4E (0.42) TSHRSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL14301862 0.73 ALDH1A1 (0.57) HPGDTSHRMAPTSMN1; SMN2NPC1
SCHEMBL15080668 0.73 TDP1 (0.50) HPGDSMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL9718461 0.73 TDP1 (0.50) HPGDSMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL10129332 0.73 HPGD (0.45) HPGDTSHRMAPTSMN1; SMN2NPC1
SCHEMBL14733279 0.72 TDP1 (0.49) HPGDSMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL14354578 0.71 HPGD (0.46) HPGDTSHRMAPTSMN1; SMN2NPC1
SCHEMBL14340698 0.71 MEN1 (0.43) TSHRMAPTALDH1A1KDM4EKMT2A
SCHEMBL8146212 0.70 GAA (0.63) HPGDTSHRMAPTSMN1; SMN2NPC1
SCHEMBL12062913 0.70 ALDH1A1 (0.54) HPGDTSHRMAPTSMN1; SMN2NPC1

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
US-20070278941-A1 ELECTROLUMINESCENT DEVICES HAVING CONJUGATED ARYLAMINE POLYMERS ZHENG SHIYING 2007-12-06 — — US disclosed
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