SCHEMBL5269897

SCHEMBL5269897

O=C(O)c1[nH]c2ccc(Sc3cccc(Cl)c3)cc2c1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 6/20 0.50
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
XBP1 P17861 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL5269184 0.88 ALDH1A1 (0.55) MAP2ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL4914710 0.71 ALDH1A1 (0.38) ALDH1A1
SCHEMBL42364 0.69 MAP2 (1.00) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL5270273 0.68 MAP2 (0.55) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL5268565 0.67 MAP2 (0.41) MAP2ALDH1A1KDM4EHPGDMEN1
SCHEMBL16195543 0.66 SMN1; SMN2 (0.67) ALDH1A1HPGDGAA
SCHEMBL5269231 0.65 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5335425 0.65 ACACB (0.39) MAP2MEN1KMT2AHTT
SCHEMBL20570856 0.64 MAP2 (0.73) MAP2GPR35ALDH1A1KDM4EHPGD
SCHEMBL22817013 0.63 HAO1 (0.44)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed