SCHEMBL7086846

SCHEMBL7086846

O=C(O)Oc1c(-c2ccco2)ccn2ccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.35
TUBB4A P04350 5/20 0.35
TUBB P07437 5/20 0.35
TUBA3C P0DPH7 5/20 0.35
TUBA1B P68363 5/20 0.35
TUBA4A P68366 5/20 0.35
TUBB4B P68371 5/20 0.35
TUBB3 Q13509 5/20 0.35
TUBB2A Q13885 5/20 0.35
TUBB8 Q3ZCM7 5/20 0.35
TUBA3E Q6PEY2 5/20 0.35
TUBA1A Q71U36 5/20 0.35
TUBA1C Q9BQE3 5/20 0.35
TUBB6 Q9BUF5 5/20 0.35
TUBB2B Q9BVA1 5/20 0.35
TUBB1 Q9H4B7 5/20 0.35
PTPN1 P18031 2/20 0.32

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
SCHEMBL4920355 0.72 HSD17B10 (0.40) ELANEKDM4ETDP1HSD17B10MAPK1
SCHEMBL4930253 0.65 HSD17B10 (0.41) ELANEKDM4ETDP1HSD17B10MAPK1
SCHEMBL1735826 0.61 ADORA2A (0.59) KDM4ETDP1HSD17B10PTPN1KMT2A
SCHEMBL15231432 0.61 KDM4E (0.49) ELANEKDM4ETDP1HSD17B10PTPN1
SCHEMBL7335145 0.61 TNKS (0.56) KDM4ETDP1HSD17B10MAPK1KMT2A
SCHEMBL8545080 0.60 ALDH1A1 (0.54) KDM4ETDP1HSD17B10MAPK1KMT2A
SCHEMBL20600721 0.59 ADORA2A (0.71) KDM4ETDP1HSD17B10MAPK1KMT2A
SCHEMBL28926315 0.58 HPGD (0.42) KDM4ETDP1HSD17B10MAPK1KMT2A
SCHEMBL1419899 0.58 KDM4E (0.50) KDM4ETDP1HSD17B10MAPTALDH1A1
SCHEMBL30309814 0.58 KDM4E (0.65) KDM4ETDP1HSD17B10PTPN1MAPK1

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
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed