SCHEMBL28098703

SCHEMBL28098703

c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4-c4ccccn4)cc3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
TGFBR1 P36897 5/20 0.45
TGFBR2 P37173 1/20 0.43
CYP2A6 P11509 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KDR P35968 1/20 0.40
FEN1 P39748 1/20 0.40
MCL1 Q07820 2/20 0.40
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL30439422 0.90 TGFBR1 (0.41) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL57318 0.88 KDM4E (0.50) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL27504571 0.87 PTGS1 (0.49) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL11992251 0.87 TGFBR1 (0.39) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL923479 0.85 PTGS1 (0.47) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL15977621 0.85 FEN1 (0.40) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL6381236 0.84 TGFBR1 (0.42) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL23161832 0.82 TGFBR1 (0.44) PTGS1PTGS2TGFBR1TGFBR2LRRK2
SCHEMBL27509616 0.82 PTGS1 (0.45) PTGS1PTGS2TGFBR1TGFBR2CYP2A6
SCHEMBL29394715 0.82 PTGS1 (0.45) PTGS1PTGS2TGFBR1TGFBR2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106057846-A LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE 株式会社半导体能源研究所 2016-10-26 CN disclosed