SCHEMBL7977995

SCHEMBL7977995

CON=CC(=S)N(OC)c1ccccc1COc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC1A5 Q15758 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL8396050 0.78 RECQL (0.44) RECQLCDK4CCND1ALDH1A1CYP1A2
SCHEMBL7995638 0.77 RECQL (0.42) RECQLCDK4CCND1ALDH1A1CYP1A2
SCHEMBL8395408 0.76 CYP3A4 (0.43) RECQLCDK4CCND1RXRARXRB
SCHEMBL8174719 0.76 RXRA (0.44) RECQLCDK4CCND1ALDH1A1CYP1A2
SCHEMBL7602732 0.75 RXRA (0.43) RECQLCDK4CCND1ALDH1A1RXRA
SCHEMBL9422372 0.72 RECQL (0.47) RECQLCDK4CCND1ALDH1A1CYP1A2
SCHEMBL8174577 0.72 CYP1A2 (0.42) RECQLCDK4CCND1ALDH1A1CYP1A2
SCHEMBL8398841 0.71 L3MBTL1 (0.42) RECQLCDK4CCND1ALDH1A1SLC1A5
SCHEMBL7804247 0.70 RECQL (0.43) RECQLCDK4CCND1ALDH1A1RXRA
SCHEMBL8328571 0.70 KMT2A (0.45) RECQLALDH1A1RXRARXRBRXRG

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-6177463-B1 FUNGICIDES; BACTERICIDES; MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-23 US disclosed