SCHEMBL6170488

SCHEMBL6170488

COc1ccc(C(=O)O)c2sc(N3CCNCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 7/20 0.55
HMOX1 P09601 1/20 0.49
HMOX2 P30519 1/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6171031 0.88 ALDH1A1 (0.74) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6172259 0.87 TP53 (0.60) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6171650 0.86 ALOX15 (0.58) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6171654 0.81 TP53 (0.64) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL3057679 0.72 ADORA2A (0.48) TP53
Hydrochloric Acid SCHEMBL4056520 0.72 ALDH1A1 (0.69) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6173264 0.72 ALDH1A1 (0.49) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6173452 0.71 ALDH1A1 (0.47) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6173638 0.70 PDE4B (0.51) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL21328372 0.69 NR1H4 (0.42) TP53ALDH1A1HPGDTSHRSMN1; SMN2

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

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