SCHEMBL6990978

SCHEMBL6990978

CC(CCN)Nc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
THRB P10828 1/20 0.47
CASP1 P29466 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.40
MAPT P10636 3/20 0.39
ALOX12 P18054 2/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL10590777 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL132688 0.80 TDP1 (0.52) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL13362748 0.78 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL2679196 0.78 ALDH1A1 (0.78) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL20746963 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL15325739 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL21141303 0.75 RAB9A (0.70) SMN1; SMN2RAB9ALMNACA12KMT2A
SCHEMBL1820670 0.73 RAB9A (0.47) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL12096331 0.73 RAB9A (0.47) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL22773555 0.73 RAB9A (0.44) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR

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