SCHEMBL7149111

SCHEMBL7149111

CC(=O)OC1Cc2ccc([N+](=O)[O-])cc2C1NNC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.43
WDR5 P61964 1/20 0.43
KDM4E B2RXH2 1/20 0.42
EPHX1 P07099 1/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 1/20 0.39
MITF O75030 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 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
SCHEMBL7107514 0.91 KDM4E (0.45) GAAWDR5KDM4EEPHX1KMT2A
SCHEMBL7107511 0.91 KDM4E (0.45) GAAWDR5KDM4EEPHX1KMT2A
SCHEMBL7149107 0.86 ALDH1A1 (0.41) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL7149109 0.86 ALDH1A1 (0.41) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL7101251 0.76 CYP3A4 (0.43) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7101254 0.76 CYP3A4 (0.43) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7105112 0.75 NPC1 (0.46) GAAWDR5KMT2AMAPTMEN1
SCHEMBL7105107 0.75 NPC1 (0.46) GAAWDR5KMT2AMAPTMEN1
SCHEMBL7101763 0.73 KDM4E (0.48) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL4867618 0.69 CHRM1 (0.50) GAAWDR5KMT2AMAPTMEN1

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-0923543-B1 POTASSIUM CHANNEL INHIBITORS ICAGEN INC (US) 2003-09-24 EP disclosed
US-6083986-A Potassium channel inhibitors ICAGEN, INC. (US) 2000-07-04 US disclosed