SCHEMBL5013873

SCHEMBL5013873

c1ccc2c(C[C](c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
PTGER4 P35408 1/20 0.50
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CYP2C9 P11712 1/20 0.48
ACP3 P15309 1/20 0.47
PTPN1 P18031 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL5010784 0.89 TDP1 (0.56) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7617976 0.81 TDP1 (0.55) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9956288 0.81 TDP1 (0.65) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5011024 0.80 TDP1 (0.63) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5010785 0.80 NR4A1 (0.53) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5010156 0.79 CHRNB2 (0.52) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL17435206 0.77 TDP1 (0.70) TDP1MEN1KMT2ASMN1; SMN2KDM4E
Naphthoic Acid SCHEMBL10948465 0.77 TDP1 (0.80) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7565966 0.75 TDP1 (0.74) TDP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL269372 0.75 TDP1 (0.62) TDP1MEN1KMT2ASMN1; SMN2HPGD

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed