SCHEMBL22981966

SCHEMBL22981966

CCCCOc1cc2c3c(cccc3c1)C(=O)N(N)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MPO P05164 1/20 0.55
RAD52 P43351 1/20 0.45
CYP1B1 Q16678 2/20 0.44
HEXA P06865 7/20 0.44
HEXB P07686 7/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
TNNI3 P19429 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT6 P42226 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
FTO Q9C0B1 1/20 0.40

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
SCHEMBL21161647 0.94 TDP1 (0.50) TDP1MPORAD52CYP1B1HEXA
SCHEMBL21161649 0.84 MPO (0.51) TDP1MPORAD52CYP1B1HEXA
SCHEMBL13829105 0.75 ERCC1 (0.50) TDP1RAD52CYP1B1HEXAHEXB
SCHEMBL7706739 0.75 ERCC1 (0.57) TDP1MPORAD52CYP1B1HEXA
SCHEMBL5681175 0.74 CYP3A4 (0.46) TDP1KMT2AMEN1NPC1ALDH1A1
SCHEMBL28870673 0.74 ERCC1 (0.53) TDP1RAD52CYP1B1HEXAHEXB
SCHEMBL7709925 0.74 ERCC1 (0.55) TDP1MPORAD52CYP1B1HEXA
SCHEMBL11709886 0.74 PRMT1 (0.49) TDP1CYP1B1KMT2AMEN1CYP1A2
SCHEMBL19015165 0.73 TDP1 (0.45) TDP1MPORAD52CYP1B1HEXA
SCHEMBL7709551 0.72 ERCC1 (0.50) RAD52CYP1B1HEXAHEXBKMT2A

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-2021029158-A1 SULFONAMIDE COMPOUND, NONIONIC PHOTOACID GENERATOR, AND PHOTOLITHOGRAPHY RESIN COMPOSITION サンアプロ株式会社 2021-02-18 WO disclosed