SCHEMBL9799263

SCHEMBL9799263

CCN(CC)c1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])c(F)c3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.48
KMT2A Q03164 11/20 0.48
MAPT P10636 11/20 0.48
ALDH1A1 P00352 7/20 0.48
LMNA P02545 7/20 0.48
TLR9 Q9NR96 1/20 0.41
ALDH3A1 P30838 2/20 0.40
MAPK1 P28482 4/20 0.39
ATM Q13315 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
CTNNB1 P35222 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A3 P47895 1/20 0.38

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
SCHEMBL9799271 1.00 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9799304 0.91 MAPT (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9799299 0.91 MAPT (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9799239 0.90 MAPT (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9799245 0.90 MAPT (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9798352 0.89 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9798344 0.89 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9798560 0.89 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9798554 0.89 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9798613 0.88 MAPT (0.39) MEN1KMT2AMAPTALDH1A1LMNA

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