SCHEMBL7787353

SCHEMBL7787353

CC(C)(C)OC(=O)C(Cc1ccccn1)(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PPIF P30405 1/20 0.37
PPIA P62937 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 1/20 0.36
STAT1 P42224 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5860416 0.95 RECQL (0.47) ALDH1A1POLBKMT2AMEN1RAB9A
SCHEMBL5860161 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1RAB9A
SCHEMBL7787285 0.73 TRPM8 (0.45) ALDH1A1POLBRAB9ANPC1L3MBTL1
SCHEMBL12045056 0.72 KMT2A (0.45) ALDH1A1POLBKMT2AMEN1RAB9A
SCHEMBL7780059 0.71 RAB9A (0.43) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL2077718 0.71 CYP2C19 (0.55) ALDH1A1POLBKMT2AMEN1RAB9A
SCHEMBL6489438 0.70 POLB (0.51) ALDH1A1POLBKMT2AMEN1RAB9A
SCHEMBL3530965 0.69 ALDH1A1 (0.51) ALDH1A1POLBLMNAMAPTGAA
SCHEMBL28359072 0.69 ALDH1A1 (0.51) ALDH1A1POLBLMNAMAPTGAA
SCHEMBL5862734 0.69 ALDH1A1 (0.46) ALDH1A1POLBKMT2AMEN1RAB9A

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-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed