SCHEMBL6700835

SCHEMBL6700835

COC(=O)c1ccc(Cn2c(C(=O)NC(N)=S)cc3cc(C)cc(C)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 2/20 0.38
TBXA2R P21731 2/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RX3 P56373 1/20 0.36

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
SCHEMBL6703128 0.84 GPR35 (0.47) MAPTLMNATP53GAAL3MBTL1
SCHEMBL6700565 0.79 ALDH1A1 (0.37) MAPTLMNATP53L3MBTL1NPSR1
SCHEMBL6703954 0.72 CCR2 (0.47) MAPTTP53GAAF10LOXL2
SCHEMBL17993528 0.66 LOXL2 (0.56) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL17429664 0.64 CYP4A11 (0.60) MAPTTP53GAARAB9AMEN1
SCHEMBL2480992 0.63 CCR2 (0.71) MAPTDRD2TBXA2RF10KMT2A
SCHEMBL5585562 0.63 LOXL2 (0.59) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL12472344 0.63 HDAC6 (0.73) MAPTTP53GAARAB9ADRD2
SCHEMBL9339846 0.62 CYP4A11 (0.62) MAPTLMNATP53GAAL3MBTL1
SCHEMBL9339781 0.62 CYP4A11 (0.65) MAPTLMNATP53GAAL3MBTL1

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-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed