SCHEMBL9764873

SCHEMBL9764873

CCNC(=O)N(O)Cc1ccc2c(c1)oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MME P08473 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 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
SCHEMBL9764859 0.78 ALDH1A1 (0.39) KMT2ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL20462406 0.74 XDH (0.47) MEN1KMT2ASMN1; SMN2ACHECYP1A2
SCHEMBL9764821 0.73 KMT2A (0.45) ECE1MEN1KMT2AMMENPC1
SCHEMBL9764839 0.73 ECE1 (0.44) ECE1MEN1KMT2AMMENPC1
SCHEMBL9764895 0.72 NPC1 (0.47) ECE1MEN1KMT2AMMENPC1
SCHEMBL21510705 0.72 CYP1A2 (0.53) ECE1MEN1KMT2AMMENPC1
SCHEMBL10306815 0.71 AHR (0.53) ECE1MEN1KMT2AMMENPC1
SCHEMBL30810814 0.71 AHR (0.53) ECE1MEN1KMT2AMMENPC1
SCHEMBL9764922 0.71 ALOX5 (0.49) ECE1MEN1KMT2AMMENPC1
SCHEMBL24474693 0.69 TDP1 (0.54) ECE1MEN1KMT2AMMESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed