SCHEMBL15965705

SCHEMBL15965705

c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-c4cncnc4-c4ccc5oc6ccc(-n7c8ccccc8c8ncccc87)cc6c5c4)cc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15965707 0.89 KMO (0.35) NPC1MAPT
SCHEMBL15965730 0.87 RPS6KA3 (0.33) NPC1MAPT
SCHEMBL15965690 0.86 NPC1 (0.35) NPC1MAPTMEN1KMT2A
SCHEMBL10348765 0.85 NPC1 (0.37) NPC1MAPTMEN1KMT2A
SCHEMBL10348766 0.84 NPC1 (0.36) NPC1MAPTMEN1KMT2A
SCHEMBL10041341 0.83 BTK (0.35) NPC1MAPT
SCHEMBL4570442 0.83 MAPT (0.40) NPC1MAPTMEN1USP2KMT2A
SCHEMBL10041352 0.82 PLA2G2A (0.36) NPC1MAPTMEN1KMT2A
SCHEMBL10041330 0.82 PLA2G2A (0.36) NPC1MAPTMEN1KMT2A
SCHEMBL15965741 0.82 KMO (0.35) NPC1MAPT

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-20140231772-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 US disclosed
US-20140231772-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 US disclosed