SCHEMBL9799335

SCHEMBL9799335

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)c1ccc(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])c(F)c3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPK1 P28482 3/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.36
LMNA P02545 6/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH3A1 P30838 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
INSR P06213 1/20 0.35
GAA P10253 1/20 0.35
TXNRD1 Q16881 2/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL9799328 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798787 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9799214 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798497 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798619 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798789 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798824 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798707 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798613 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9798810 1.00 MAPT (0.39) MAPTMEN1KMT2AMAPK1RAB9A

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-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990009616-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed