SCHEMBL20143297

SCHEMBL20143297

CNc1ccc(C2(c3ccc(NC(=O)c4ccc(C(c5ccc(C(=O)O)c(C(=O)C(C)(C)C)c5)(C(F)(F)F)C(F)(F)F)cc4C(=O)O)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 10/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 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
SCHEMBL13592689 0.84 KMT2A (0.40) SORT1MEN1KMT2APOLBTDP1
SCHEMBL13592690 0.76 ALDH1A1 (0.38) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL20143315 0.74 GFER (0.41) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL17445974 0.72 TDP1 (0.47) SORT1MEN1KMT2APOLBDUSP3
SCHEMBL15479620 0.70 GAA (0.37) SORT1PDK2
SCHEMBL13668345 0.69 KMT2A (0.50) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL13668348 0.69 KMT2A (0.50) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL13967733 0.69 KMT2A (0.50) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL15032718 0.68 TDP1 (0.49) SORT1MEN1KMT2APOLBDUSP3
SCHEMBL13152876 0.68 SORT1 (0.41) SORT1

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-RE46841-E1 Spin-on carbon compositions for lithographic processing BREWER SCIENCE, INC. (US) 2018-05-15 — — US disclosed
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