SCHEMBL7538832

SCHEMBL7538832

CCCCCCCCCCc1ccc(CCCCCCCCCC)c2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c41)-c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c1-3)c1c(CCCCCCCCCO)ccc(CCCCCCCCCO)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KCNH2 Q12809 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
GPR84 Q9NQS5 2/20 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
SCHEMBL7056015 0.93 KCNH2 (0.38) TYRMEN1TSHRKMT2ATP53
SCHEMBL7580690 0.93 KCNH2 (0.38) TYRMEN1TSHRKMT2ATP53
SCHEMBL7530621 0.93 KCNH2 (0.38) TYRMEN1TSHRKMT2ATP53
SCHEMBL7717379 0.92 KCNH2 (0.37) TYRMEN1TSHRKMT2ATP53
SCHEMBL7572175 0.92 KCNH2 (0.35) TYRMEN1TSHRKMT2ATP53
SCHEMBL7533536 0.91 LIPG (0.34) TSHRCYP3A4MAPTALDH1A1HSD17B10
SCHEMBL4522301 0.82 SPHK2 (0.33) TYRMEN1TSHRKMT2ATP53
SCHEMBL10595842 0.79 CYSLTR2 (0.44) MEN1KMT2A
SCHEMBL7595832 0.77 MAPK14 (0.40) TSHRCYP3A4MAPTLMNAALDH1A1
SCHEMBL7580698 0.75 MAPK13 (0.39) TSHRCYP3A4MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714298-B1 Photosensitiser containing phthalocyanine derivative for photodynamic therapy of tumours QINETIQ LTD (GB) 2002-04-24 EP disclosed
US-6096734-A ANTITUMOR THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE AND EVALUATION RESEARCH AGENCY (GB) 2000-08-01 US disclosed
US-5834455-A CANCER PHOTODYNAMIC THERAPY USING A PHTHALOCYANINE DYES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE & EVALUATION RESEARCH AGENCY, DRA (GB) 1998-11-10 US disclosed
EP-0714298-A1 PHOTOSENSITIZERS The Secretary of State for Defence (GB) 1996-06-05 EP disclosed
WO-1995005818-A1 PHOTOSENSITIZERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-03-02 WO disclosed