SCHEMBL2298560

SCHEMBL2298560

CCCc1ccc(OC2C[N]C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ACACB O00763 3/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
NAAA Q02083 2/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
HTR1D P28221 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL4964015 0.79 ALDH1A1 (0.50) TP53MAPTACACBALDH1A1KMT2A
SCHEMBL8276621 0.77 TP53 (0.42) TP53MAPTTHRBDDB1CRBN
SCHEMBL27592520 0.76 HRH3 (0.47) TP53MAPTACACBDDB1CRBN
SCHEMBL2299147 0.75 CA1 (0.48) MAPTTHRBALDH1A1RAB9AKMT2A
SCHEMBL3125920 0.75 ACHE (0.41) MAPTALDH1A1NAAAKMT2AMEN1
SCHEMBL2091100 0.72 NAAA (0.46) TP53THRBDDB1CRBNALDH1A1
SCHEMBL2092643 0.71 NAAA (0.47) TP53MAPTTHRBDDB1CRBN
SCHEMBL2302743 0.71 SLC6A4 (0.52) MAPTRAB9AKMT2AMEN1
SCHEMBL2302199 0.71 EPHX2 (0.41) NAAAKMT2AMEN1
SCHEMBL2298535 0.70 KMT2A (0.40) ACACBALDH1A1RAB9ANAAAKMT2A

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-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed