SCHEMBL6173220

SCHEMBL6173220

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
MAPT P10636 7/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HMOX1 P09601 1/20 0.41
HMOX2 P30519 1/20 0.41
MITF O75030 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6173003 0.86 TP53 (0.56) TP53MAPTLMNAALDH1A1HMOX1
SCHEMBL6171654 0.82 TP53 (0.64) TP53MAPTLMNAALDH1A1HMOX1
SCHEMBL6173640 0.77 TP53 (0.65) TP53MAPTLMNAALDH1A1HMOX1
SCHEMBL7971960 0.77 TP53 (0.64) TP53MAPTLMNAALDH1A1HMOX1
SCHEMBL6168793 0.75 PDE4B (0.46) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL6171996 0.75 ALDH1A1 (0.41) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL392783 0.73 ALDH1A1 (0.72) MAPTLMNAALDH1A1
SCHEMBL1612901 0.72 LMNA (0.67) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL20767871 0.71 RAB9A (0.61) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL73236 0.70 MAPT (0.43) MAPTLMNAALDH1A1

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