SCHEMBL2589397

SCHEMBL2589397

COC(=O)c1cc(Br)cc2[nH]nc(C3CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.38
NR4A2 P43354 1/20 0.36
TDO2 P48775 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 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
SCHEMBL2584137 0.80 OPRK1 (0.42) OPRK1NR4A2
SCHEMBL701198 0.76 NR4A2 (0.38) OPRK1NR4A2MAPK1
SCHEMBL2581893 0.76 NR4A2 (0.38) OPRK1NR4A2LMNASMN1; SMN2MAPK1
SCHEMBL27832044 0.74 NR4A2 (0.36) OPRK1NR4A2MAPK1
SCHEMBL16225311 0.72 PARP1 (0.48) OPRK1
SCHEMBL719368 0.70 PDK2 (0.39) NR4A2LMNAPOLBSMN1; SMN2MAPK1
SCHEMBL20135394 0.69 KDM4E (0.48) TDO2
SCHEMBL10325525 0.68 MEN1 (0.50)
SCHEMBL17439541 0.68 MAP2K4 (0.50) LMNA
SCHEMBL28501362 0.68 KDM4E (0.46) NR4A2LMNASMN1; SMN2MAPK1

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-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed