SCHEMBL6702286

SCHEMBL6702286

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(Cl)cc3OC)c(C(C)C3CCCCC3)s2)cc2cc(C)cc(C)c21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
STAT3 P40763 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
PI4KB Q9UBF8 3/20 0.31
HTT P42858 1/20 0.31
F10 P00742 1/20 0.31
ROCK2 O75116 3/20 0.31
TSHR P16473 1/20 0.30
CHRM4 P08173 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6704409 0.94 MAPT (0.32) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL6700553 0.94 CHRM4 (0.33) MAPTKDM4EALDH1A1SAE1PI4KB
SCHEMBL7688590 0.93 MAPT (0.32) MAPTLMNATP53KDM4EALDH1A1
Water SCHEMBL7685981 0.93 MAPT (0.31) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL6703562 0.91 MAPT (0.33) MAPTTP53KDM4EALDH1A1PI4KB
SCHEMBL6703723 0.90 F10 (0.36) MAPTLMNATP53ALDH1A1F10
SCHEMBL6704664 0.90 SAE1 (0.33) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL7679713 0.87 MEN1 (0.40) F10KMT2A
SCHEMBL6705251 0.86 SAE1 (0.34) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL6703807 0.86 PLTP (0.39) MAPTLMNATP53KDM4EALDH1A1

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 4 patents. 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
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed