SCHEMBL21390739

SCHEMBL21390739

C=CCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
IDH1 O75874 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TPH1 P17752 1/20 0.39
PDE4B Q07343 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GP6 Q9HCN6 1/20 0.37
PDE4D Q08499 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL21390641 0.95 IDH1 (0.43) PTGS2IDH1MEN1KMT2AMAPT
SCHEMBL21390585 0.95 IDH1 (0.43) PTGS2IDH1MEN1KMT2AMAPT
SCHEMBL21390737 0.93 MAPT (0.41) PTGS2MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL21390642 0.88 PRKCI (0.43) PTGS2MAPTCYP3A4SMN1; SMN2
SCHEMBL21390732 0.88 PRKCI (0.43) PTGS2MAPTCYP3A4SMN1; SMN2
SCHEMBL21390740 0.88 CYP19A1 (0.44) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL21390604 0.88 PTGS2 (0.48) PTGS2IDH1MEN1KMT2AMAPT
SCHEMBL21390636 0.86 CYP2A6 (0.46) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL21390637 0.85 KDM4E (0.45) PTGS2MAPTALDH1A1HPGDPDE4B
SCHEMBL21390586 0.85 TDP1 (0.41) PTGS2IDH1MEN1KMT2AMAPT

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed