SCHEMBL9865288

SCHEMBL9865288

Cc1ccc2nc(C)nc-2cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
CCR1 P32246 2/20 0.46
CCR8 P51685 2/20 0.46
CCR5 P51681 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12264966 0.78 MAPT (0.59) TDP1LMNAMAPTTP53POLB
SCHEMBL9864593 0.77 ACHE (0.44) ACHETDP1CCR1CCR8CCR5
SCHEMBL17807591 0.73 MEN1 (0.49) TDP1LMNAMAPTTP53POLB
SCHEMBL18900464 0.71 KMT2A (0.72) TDP1LMNAMAPTTP53POLB
P-Xylene SCHEMBL460348 0.71 ACHE (1.00) ACHETDP1LMNAALDH1A1CYP1A2
P-Xylene SCHEMBL11770184 0.71 ACHE (1.00) ACHETDP1LMNAALDH1A1CYP1A2
P-Xylene SCHEMBL11772917 0.71 ACHE (1.00) ACHETDP1LMNAALDH1A1CYP1A2
P-Xylene SCHEMBL771 0.71
Biphenyl SCHEMBL8958655 0.69 L3MBTL1 (0.58) TDP1CCR1CCR8LMNAMAPT
SCHEMBL12134956 0.69 L3MBTL1 (0.65) ACHETDP1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116769-B1 Electrolyte composition, electrochemical cell and ionic liquid crystal monomer FUJIFILM CORP (JP) 2011-12-14 EP disclosed
US-7423078-B2 Organic-inorganic hybrid material, organic-inorganic hybrid proton-conductive material and fuel cell FUJIFILM CORPORATION (JP) 2008-09-09 US disclosed
US-7423078-B2 Organic-inorganic hybrid material, organic-inorganic hybrid proton-conductive material and fuel cell FUJIFILM CORPORATION (JP) 2008-09-09 US disclosed
US-7371480-B2 Silica sol composition, membrane electrode assembly with proton-exchange membrane, and fuel cell FUJIFILM CORPORATION (JP) 2008-05-13 US disclosed
US-7371480-B2 Silica sol composition, membrane electrode assembly with proton-exchange membrane, and fuel cell FUJIFILM CORPORATION (JP) 2008-05-13 US disclosed
US-5003077-A Having a cycloheptimidazole nucleus; photostability; methine bond having an auxochrome FUJI PHOTO FILM CO., LTD. (JP) 1991-03-26 US disclosed