SCHEMBL13447647

SCHEMBL13447647

COc1cccc(C=N)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.47
▸ ERN1 O75460 1/20 0.47
▸ TLR1 Q15399 1/20 0.47
▸ TLR6 Q9Y2C9 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ NFE2L2 Q16236 9/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL7770731 0.84 NFE2L2 (0.55) CA12CA1CA2CA4CA7
SCHEMBL31689790 0.84 NFE2L2 (0.55) TLR2ERN1TLR1TLR6CA12
SCHEMBL31689795 0.84 NFE2L2 (0.55) TLR2ERN1TLR1TLR6CA12
SCHEMBL17379744 0.82 NFE2L2 (0.46) TLR2ERN1TLR1TLR6NFE2L2
SCHEMBL10054715 0.81 TLR2 (0.67) TLR2ERN1TLR1TLR6CA12
SCHEMBL16961832 0.80 TLR2 (0.50) TLR2ERN1TLR1TLR6CA12
SCHEMBL738533 0.80 ERN1 (0.66) TLR2ERN1TLR1TLR6CA12
SCHEMBL7990624 0.80 TLR2 (0.46) TLR2ERN1TLR1TLR6CA12
SCHEMBL29954368 0.80 ERN1 (0.66) TLR2ERN1TLR1TLR6CA12
SCHEMBL146841 0.80 CA1 (0.61) TLR2ERN1TLR1TLR6CA12

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-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 — — EP disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 — — US disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 — — WO disclosed
Send feedback