SCHEMBL4534137

SCHEMBL4534137

Cc1c(N2C(=O)C=CC2=O)c(=O)oc2cc([As](C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
CCR4 P51679 5/20 0.43
HSD17B3 P37058 4/20 0.40
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
STS P08842 1/20 0.35
GLA P06280 1/20 0.34
KLK7 P49862 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL179796 0.81 CCR4 (0.64) EP300CCR4HSD17B3KDM4EALDH1A1
SCHEMBL29527262 0.81 CCR4 (0.64) EP300CCR4HSD17B3KDM4EALDH1A1
SCHEMBL13730668 0.80 HSP90AA1 (0.30) EP300
SCHEMBL3363523 0.78 EP300 (0.69) EP300CCR4KDM4EALDH1A1HTT
SCHEMBL28131701 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL17066117 0.75 EP300 (0.41) EP300CCR4HSD17B3KDM4EALDH1A1
SCHEMBL3660493 0.71 CCR4 (0.64) EP300CCR4HSD17B3KDM4EALDH1A1
SCHEMBL16323066 0.67 ALDH1A1 (0.60) HSD17B3KDM4EALDH1A1HPGDGAA
SCHEMBL5565883 0.65 CCR4 (0.36) EP300CCR4KDM4EALDH1A1HPGD
SCHEMBL30122941 0.63 CYP1A2 (0.41) CCR4KDM4EALDH1A1HTTHPGD

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
US-20170023681-A1 PERSONAL AND SELF INDICATING RADIATION ALERT DOSIMETER NEW YORK UNIVERSITY 2017-01-26 US disclosed
EP-2702172-A1 METHOD FOR DETERMINING CLINICALLY RELEVANT HYPOXIA IN CANCER Overgaard, Jens (DK) 2014-03-05 EP disclosed
WO-2012146259-A1 METHOD FOR DETERMINING CLINICALLY RELEVANT HYPOXIA IN CANCER OVERGAARD JENS (DK) 2012-11-01 WO disclosed
US-7476874-B2 Self indicating radiation alert dosimeter JP LABORATORIES, INC. (US) 2009-01-13 US disclosed
US-20060145091-A1 Self indicating radiation alert dosimeter JP LABORATORIES INC. 2006-07-06 US disclosed