SCHEMBL8621130

SCHEMBL8621130

CS(=O)(=O)c1ccnc(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TGFBR1 P36897 1/20 0.41
NPC1 O15118 2/20 0.41
CBFB Q13951 1/20 0.39
ULK1 O75385 1/20 0.38
CDK7 P50613 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL8641367 0.83 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8621133 0.78 PTGS2 (0.47) PTGS2PTGS1KDM4ELMNACCR1
SCHEMBL1205852 0.74 EDNRA (0.52) PTGS2PTGS1KDM4ELMNACCR1
SCHEMBL4660500 0.73 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2966926 0.73 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL230110 0.72 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31520185 0.72 KDM4E (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28999920 0.71 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17045822 0.71 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27645628 0.70 KDM4E (0.64) PTGS2KDM4ELMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576036-B1 Optical information recording element using AZO dyes EASTMAN KODAK CO (US) 1998-05-20 EP disclosed
EP-0576036-A2 Optical information recording element using AZO dyes EASTMAN KODAK COMPANY (US) 1993-12-29 EP disclosed
US-5272047-A Optical information recording medium using azo dyes EASTMAN KODAK COMPANY (US) 1993-12-21 US disclosed