SCHEMBL28514797

SCHEMBL28514797

Cc1c(C(=O)O)ccc(NC(=O)c2ccc(C(=N)c3ccc(N)cc3)c(OC(C)C)c2O)c1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 2/20 0.37
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ F2 P00734 4/20 0.34
▸ F10 P00742 4/20 0.34
▸ PLG P00747 4/20 0.34
▸ PLAU P00749 4/20 0.34
▸ PLAT P00750 3/20 0.34

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
SCHEMBL16371053 0.90 MAPT (0.41) EP300RAB9ANPC1KDM4ECASP3
SCHEMBL28514795 0.81 EP300 (0.43) EP300RAB9ANPC1KDM4EHSD17B10
SCHEMBL16392463 0.76 EP300 (0.57) EP300RAB9AMEN1KMT2ABCL2
SCHEMBL24379800 0.76 MEN1 (0.54) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL15956564 0.73 MAPT (0.50) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17784953 0.72 EP300 (0.56) EP300RAB9AMAPTMEN1KMT2A
SCHEMBL17775416 0.72 EP300 (0.48) EP300RAB9ANPC1KDM4EMAPT
SCHEMBL16371049 0.71 MAPT (0.48) EP300RAB9ANPC1KDM4EMAPT
SCHEMBL17784957 0.70 EP300 (0.58) EP300RAB9ANPC1MAPTMEN1
SCHEMBL16369610 0.70 EP300 (0.63) EP300RAB9ABCL2BCL2L1MCL1

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-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 — — CN disclosed
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