SCHEMBL7799200

SCHEMBL7799200

CCCCOC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
EPHX1 P07099 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL13387445 0.87 FAAH (0.58) LMNAFAAHSMN1; SMN2
SCHEMBL6518969 0.86 TSHR (0.55) LMNAGAAEPHX1CYP2C9CYP2C19
SCHEMBL8590341 0.81 CYP1A2 (0.55) LMNAFAAHCYP2C19SMN1; SMN2
SCHEMBL15738567 0.81 FAAH (0.53) FAAH
SCHEMBL14861111 0.81 GAA (0.58) MAPTGAAEPHX1CYP2C9CYP2C19
SCHEMBL10944355 0.81 MAPT (0.80) MGLLMEN1MAPTKMT2ALMNA
SCHEMBL4798471 0.81 MGLL (0.63) MGLLMEN1MAPTKMT2ALMNA
SCHEMBL27795672 0.80 LMNA (0.56) MAPTLMNAALDH1A1FAAHCYP2C9
SCHEMBL16696334 0.80 FAAH (0.56) KMT2ALMNAGAAALDH1A1FAAH
SCHEMBL2094718 0.80 ALDH1A1 (0.61) MEN1KMT2AALDH1A1FAAHCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683155-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2016-06-15 CN disclosed
EP-1163220-A1 TRICYCLIC INDOLE-2-CARBOXYLIC ACID COMPOUND USED AS NMDA RECEPTOR ANTAGONIST SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-19 EP disclosed
WO-2000056711-A1 TRICYCLIC INDOLE-2-CARBOXYLIC ACID COMPOUND USED AS NMDA RECEPTOR ANTAGONIST SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2000-09-28 WO disclosed