SCHEMBL9798673

SCHEMBL9798673

CCCCCCCCCCCCNc1ccc([N+](=O)[O-])c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABL1 P00519 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 2/20 0.40
KAT2B Q92831 2/20 0.40
GLA P06280 1/20 0.40
XDH P47989 1/20 0.38
ACHE P22303 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
SCHEMBL9799334 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798920 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798761 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798328 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798319 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798470 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798855 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798838 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798791 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9798769 1.00 HCAR3 (0.45) HCAR3MAPTALDH1A1TDP1L3MBTL1

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