SCHEMBL17899320

SCHEMBL17899320

c1ccc(-c2ccccc2-c2ccc3ccc4cc(-c5cccc(-c6cnc7c(ccc8ccc(-c9ccccc9-c9ccccc9)nc87)c6)c5)cnc4c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
PARP1 P09874 3/20 0.43
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
BIRC5 O15392 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.36
ACVR1 Q04771 1/20 0.36
AXL P30530 2/20 0.36
CDK8 P49336 2/20 0.36
CYP2A6 P11509 1/20 0.35
TOP1 P11387 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
TNIK Q9UKE5 1/20 0.34

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
SCHEMBL25850634 0.89 KDM4E (0.51) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL26364628 0.88 KDM4E (0.50) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL17899321 0.88 KDM4E (0.54) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL17899317 0.87 KDM4E (0.53) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL18806866 0.86 KDM4E (0.55) KDM4EPARP1CYP11B1CYP11B2EGLN3
SCHEMBL17899322 0.86 KDM4E (0.46) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL29314792 0.85 KDM4E (0.51) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL29314796 0.85 KDM4E (0.51) KDM4EPARP1CYP11B1CYP11B2BIRC5
SCHEMBL14900765 0.83 KDM4E (0.47) KDM4EPARP1CYP11B1CYP11B2EGLN3
SCHEMBL25850570 0.83 KDM4E (0.44) KDM4EPARP1BIRC5ACVR1PIM1

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
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed