SCHEMBL19006916

SCHEMBL19006916

CCCCCCc1cc(C)cc(-n2c3ccccc3c3ccc(-c4ncc(-c5nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n5)c5ccccc45)cc32)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.34
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIN1 Q13526 1/20 0.31
TLR7 Q9NYK1 2/20 0.31
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL18987135 0.95 ADORA3 (0.35) ADORA3TP53SMN1; SMN2PIN1TLR7
SCHEMBL19001568 0.88 MAPT (0.36) TP53SMN1; SMN2PIN1ALDH1A1MAPT
SCHEMBL19001567 0.82 HSD11B1 (0.34) TP53SMN1; SMN2TLR7HSD11B1ALDH1A1
SCHEMBL18987386 0.76 HSD11B1 (0.34) SMN1; SMN2TLR7HSD11B1ALDH1A1MAPT
SCHEMBL4546847 0.74 RORA (0.41) HSD11B1MAPT
SCHEMBL18987124 0.73 SMN1; SMN2 (0.32) ADORA3TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL18987393 0.72 LPL (0.38) HSD11B1
SCHEMBL19001590 0.71 RORA (0.36) MAPT
SCHEMBL17691581 0.70 TP53 (0.43) TP53SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL15887903 0.69 DHODH (0.43) SMN1; SMN2HSD11B1ALDH1A1MAPT

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-3390418-B1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECH LTD (GB) 2020-08-05 EP disclosed
WO-2017103584-A1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed