SCHEMBL7378403

SCHEMBL7378403

O=C(O)C1=CNc2ccc(C(F)(F)F)cc2CS1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B3 P37058 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NOTUM Q6P988 1/20 0.35
MAPK1 P28482 2/20 0.34
MAP2K4 P45985 2/20 0.34
MAPK6 Q16659 2/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP2 O95551 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX12 P18054 1/20 0.34
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7669909 0.85 CFTR (0.42) ALDH1A1KDM4EHSD17B3NOTUMMAPK1
SCHEMBL7377409 0.72 HDAC8 (0.39) ALDH1A1HPGDHSD17B10KDM4EPIM1
SCHEMBL7377413 0.72 HDAC8 (0.39) ALDH1A1HPGDHSD17B10KDM4EPIM1
SCHEMBL7377416 0.72 HDAC8 (0.39) ALDH1A1HPGDHSD17B10KDM4EPIM1
SCHEMBL7555698 0.67 HDAC8 (0.46) ALDH1A1KDM4ENOTUMMAPK1MAP2K4
SCHEMBL27813563 0.66 GAA (0.55) ALDH1A1HPGDHSD17B10KDM4EPIM1
SCHEMBL7382707 0.66 HDAC8 (0.38) ALDH1A1KDM4EPIM1PIM2NOTUM
SCHEMBL7382702 0.66 HDAC8 (0.38) ALDH1A1KDM4EPIM1PIM2NOTUM
SCHEMBL7382705 0.66 HDAC8 (0.38) ALDH1A1KDM4EPIM1PIM2NOTUM
SCHEMBL6752918 0.65 CFTR (0.46) ALDH1A1HPGDHSD17B10NOTUMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed