SCHEMBL20801123

SCHEMBL20801123

CCCCC#Cc1cc2c3c(cccc3c1)C(=O)N(OC)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP1B1 Q16678 2/20 0.43
▸ BRD1 O95696 1/20 0.41
▸ TAF1 P21675 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAD52 P43351 1/20 0.36
▸ HEXA P06865 2/20 0.36
▸ HEXB P07686 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TNNI3 P19429 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ STAT6 P42226 1/20 0.35
▸ TNNT2 P45379 1/20 0.35
▸ TNNC1 P63316 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL29713417 0.86 ERCC1 (0.49) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL21631246 0.86 ERCC1 (0.49) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL20801124 0.84 TDP1 (0.43) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL18069149 0.80 TDP1 (0.42) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL21631279 0.80 TYMS (0.45) TDP1CYP1B1
SCHEMBL29713399 0.80 TYMS (0.45) TDP1CYP1B1
SCHEMBL21650724 0.79 ERCC1 (0.51) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL21650722 0.77 KDM4E (0.41) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL18069139 0.77 TDP1 (0.39) TDP1CYP1B1BRD1TAF1BRPF1
SCHEMBL19015126 0.75 TDP1 (0.37) TDP1CYP1B1BRD1TAF1BRPF1

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-2019050120-A1 PHOTOACID GENERATOR, AND CHEMICALLY AMPLIFIED POSITIVE PHOTORESIST COMPOSITION FOR THICK FILM, COMPRISING SAME 주식회사 엘지화학 2019-03-14 — — WO disclosed
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