SCHEMBL16452011

SCHEMBL16452011

c1cc(-n2c3ccccc3c3cnccc32)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6ccccc6c5)c4ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 4/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPK10 P53779 10/20 0.37
▸ MAPK9 P45984 8/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ MAPK8 P45983 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL26329869 0.86 KDM4E (0.40) MAOAMAOBACHEMAPK10MAPK9
SCHEMBL26329874 0.86 KDM4E (0.40) MAOAMAOBACHEMAPK10MAPK9
SCHEMBL23438811 0.83 MAPK10 (0.49) MAOAMAOBACHEMAPK10MAPK9
SCHEMBL20348110 0.81 MAOA (0.53) MAOAMAOBACHETOP2APOLB
SCHEMBL6114117 0.81 MAPK10 (0.42) MAOAMAOBACHEMAPK10MAPK9
SCHEMBL26374648 0.81 MAPK10 (0.36) MAPK10MAPK9MAPK8CYP19A1CYP11B1
SCHEMBL26329940 0.81 KDM4E (0.38) MAOAMAOBACHEMAPK10MAPK9
SCHEMBL17349060 0.81 MAPK10 (0.39) MAPK10MAPK9TOP2AMAPK8CYP19A1
SCHEMBL17248239 0.80 KDM4E (0.50) POLBMKNK1MKNK2
SCHEMBL19342617 0.80 KDM4E (0.44) MAPK10MAPK9MAPK8CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 — — US disclosed
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 — — US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 — — US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 — — US disclosed
Send feedback