SCHEMBL6990824

SCHEMBL6990824

C=CCN(C)CCCCCc1ccc2[nH]cc(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
LSS P48449 7/20 0.36
NR4A2 P43354 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6049347 0.78 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL6648434 0.77 GABRA1 (0.46) GABRA1GABRB2NR4A2
SCHEMBL6986923 0.77 NR4A2 (0.40) GABRA1GABRB2NR4A2
SCHEMBL6647509 0.73 NR4A2 (0.49) LMNAMAPTGABRA1GABRB2NR4A2
SCHEMBL6652006 0.73 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHIF1AGABRA1
SCHEMBL7218485 0.72 LSS (0.36) LSSMEN1KMT2A
SCHEMBL6649109 0.71 NR4A2 (0.47) LMNAMAPTGABRA1NR4A2MEN1
SCHEMBL5734736 0.70 OXER1 (0.42) LSS
SCHEMBL6988448 0.70 LSS (0.35) LSSMEN1KMT2A
SCHEMBL5635775 0.70 DHODH (0.47) LSS

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-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed