SCHEMBL17899330

SCHEMBL17899330

c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7cc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)cc6)cc5)cc(-c5ccccc5)nc4c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 5/20 0.50
TOP1 P11387 3/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DHODH Q02127 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
NTSR1 P30989 1/20 0.44

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
SCHEMBL3358457 1.00 ACACA (0.50) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL3698074 1.00 ACACA (0.50) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL3358750 1.00 ACACA (0.50) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL1745982 1.00 ACACA (0.50) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL12112655 0.98 ACACA (0.51) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL23942 0.96 TOP1 (0.50) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL27752791 0.94 TOP1 (0.49) ACACATOP1MEN1KMT2AALDH1A1
SCHEMBL13458708 0.91 AGTR1 (0.51) ACACAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13458698 0.91 KDM4E (0.56) ACACAMEN1KMT2AALDH1A1HPGD
SCHEMBL13458948 0.91 KDM4E (0.57) ACACATOP1MEN1KMT2AALDH1A1

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