SCHEMBL8406200

SCHEMBL8406200

Cc1ccc(I)cc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TNFRSF1A P19438 3/20 0.60
HTRA2 O43464 3/20 0.59
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
CTDSP1 Q9GZU7 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PSMD14 O00487 1/20 0.52
MMP2 P08253 1/20 0.52
HPGD P15428 1/20 0.52
DNMT1 P26358 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.46
FASN P49327 1/20 0.44
BRAF P15056 4/20 0.42

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
SCHEMBL8406197 0.84 HTRA2 (0.60) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL11968680 0.84 HTRA2 (0.68) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL8406198 0.81 HTRA2 (0.62) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL5398104 0.74 HTRA2 (1.00) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL8404369 0.72 HTRA2 (0.82) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL11968679 0.72 HTRA2 (1.00) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL8406199 0.71 POLB (0.68) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL8404370 0.70 HTRA2 (1.00) POLBMEN1KMT2ATNFRSF1AHTRA2
SCHEMBL6397410 0.68 TDP1 (1.00) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6397407 0.68 TDP1 (1.00) POLBMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713981-B2 Method and compounds for inhibition of cell death UNIVERSITY OF CENTRAL FLORIDA (US) 2010-05-11 US disclosed
US-20040171629-A1 Method and compounds for inhibition of cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-02 US disclosed