SCHEMBL6173640

SCHEMBL6173640

COc1ccc(Br)c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.65
MAPT P10636 7/20 0.58
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
HMOX1 P09601 1/20 0.50
HMOX2 P30519 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMPD3 Q9NY59 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.43

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
SCHEMBL6171654 0.87 TP53 (0.64) TP53MAPTALDH1A1HPGDTSHR
SCHEMBL7971960 0.85 TP53 (0.64) TP53MAPTALDH1A1HPGDTSHR
SCHEMBL20767921 0.80 NPC1 (0.48) TP53MAPTLMNA
SCHEMBL6173220 0.77 TP53 (0.54) TP53MAPTALDH1A1HPGDTSHR
SCHEMBL6172641 0.76 TP53 (0.61) TP53MAPTALDH1A1HPGDTSHR
SCHEMBL20795032 0.76 TP53 (0.49) TP53MAPTLMNASMPD3SUV39H2
SCHEMBL17310233 0.74 MAP4K4 (0.54) MAPTALDH1A1LMNASMPD3SUV39H2
SCHEMBL17310150 0.74 TLR9 (0.51) MAPTALDH1A1LMNASMPD3SUV39H2
SCHEMBL31652004 0.74 TLR9 (0.51) MAPTALDH1A1LMNASMPD3SUV39H2
SCHEMBL21326439 0.73 TP53 (0.49) TP53MAPTALDH1A1TSHRLMNA

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
EP-1263757-B1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2005-07-27 EP disclosed
EP-1263757-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-11 EP disclosed
US-6313116-B1 PHOSPHODIESTERASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-11-06 US disclosed
WO-2001058897-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed