SCHEMBL7679706

SCHEMBL7679706

COC(=O)C(C#N)c1ccc(OC)cc1[N+](=O)[O-].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
KCNMA1 Q12791 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7681081 0.99 MAPT (0.46) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL7679699 0.97 MAPT (0.46) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL2430950 0.88 MAPT (0.52) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL6881776 0.84 ALDH1A1 (0.44) MAPTRAB9AMAPK1AKR1C2ALDH1A1
SCHEMBL19371251 0.81 ALDH1A1 (0.47) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL30813068 0.81 ALDH1A1 (0.47) MAPTLMNARAB9ANPC1MAPK1
SCHEMBL7683609 0.81 ALDH1A1 (0.64) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL19371262 0.81 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL1803059 0.80 ALDH1A1 (0.67) MAPTLMNASMN1; SMN2RAB9AMAPK1
SCHEMBL20596690 0.79 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469181-B1 PREPARING 2-OXINDOLES AND N-HYROXY-2- OXINDOLES VIA REDUCTION OF 2-NITROARYLMALONATE DIESTERS WITHOUT ISOLATION OF INTERMEDIATES CATALYTICA, INC. 2002-10-22 US disclosed
EP-0809631-A4 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA INC (US) 1998-07-08 EP disclosed
EP-0809631-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1997-12-03 EP disclosed
WO-1996023770-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1996-08-08 WO disclosed