SCHEMBL2373403

SCHEMBL2373403

[c]1cnc(-c2ncccn2)nc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.33
CYP2A6 P11509 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CLK4 Q9HAZ1 2/20 0.32
ADRB2 P07550 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
METAP1 P53582 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 1/20 0.30
DOHH Q9BU89 1/20 0.30
P4HTM Q9NXG6 1/20 0.30

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
SCHEMBL27605586 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
SCHEMBL27594843 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
Hydrochloric Acid SCHEMBL29713633 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
SCHEMBL29810143 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
SCHEMBL4270187 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
Hydrochloric Acid SCHEMBL6534749 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
SCHEMBL30800591 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
Iodide SCHEMBL28731796 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
SCHEMBL28383937 0.75 HDAC8 (0.44) HDAC8CYP2A6HSP90AA1CLK4ADRB2
Iodide SCHEMBL6535014 0.72 HDAC8 (0.41) HDAC8CYP2A6HSP90AA1CLK4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758383-A1 AROMATIC AMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID AROMATIC AMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN Beiersdorf AG (DE) 2014-07-30 EP claimed
WO-2013041535-A1 AROMATIC AMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID AROMATIC AMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN BEIERSDORF AG (DE) 2013-03-28 WO claimed
EP-2549979-A2 COSMETIC OR DERMATOLOGICAL PREPARATIONS WITH A CONTENT OF ONE OR MORE THIAZOLE DERIVATIVES Beiersdorf AG (DE) 2013-01-30 EP claimed
WO-2011117034-A2 COSMETIC OR DERMATOLOGICAL PREPARATIONS WITH A CONTENT OF ONE OR MORE THIAZOLE DERIVATIVES BEIERSDORF AG (DE) 2011-09-29 WO claimed
EP-2758383-A1 AROMATIC AMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID AROMATIC AMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN Beiersdorf AG (DE) 2014-07-30 EP disclosed
EP-2758383-A1 AROMATIC AMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID AROMATIC AMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN Beiersdorf AG (DE) 2014-07-30 EP disclosed
CN-103930409-A Aromatic amidothiazoles, cosmetic or dermatological preparations containing said aromatic amidothiazoles, and use thereof to combat or prevent undesired pigmentation of the skin BEIERSDORF AG 2014-07-16 CN disclosed
WO-2013041535-A1 AROMATIC AMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID AROMATIC AMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN BEIERSDORF AG (DE) 2013-03-28 WO disclosed
WO-2013041535-A1 AROMATIC AMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID AROMATIC AMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN BEIERSDORF AG (DE) 2013-03-28 WO disclosed
EP-2549979-A2 COSMETIC OR DERMATOLOGICAL PREPARATIONS WITH A CONTENT OF ONE OR MORE THIAZOLE DERIVATIVES Beiersdorf AG (DE) 2013-01-30 EP disclosed
WO-2011117034-A2 COSMETIC OR DERMATOLOGICAL PREPARATIONS WITH A CONTENT OF ONE OR MORE THIAZOLE DERIVATIVES BEIERSDORF AG (DE) 2011-09-29 WO disclosed