SCHEMBL3721485

SCHEMBL3721485

COc1ccc(NCC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
RAB9A P51151 3/20 0.67
MAPT P10636 3/20 0.67
NPC1 O15118 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPSR1 Q6W5P4 2/20 0.61
TP53 P04637 1/20 0.61
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59
GABRA4 P48169 1/20 0.59
GABRE P78334 1/20 0.59

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
SCHEMBL3725123 0.85 ADAM17 (0.61) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15979987 0.80 CTNNB1 (0.72) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL11924588 0.79 RAB9A (0.76) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL6363764 0.77 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL8534922 0.76 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL5162760 0.76 NR4A2 (0.67) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL29456920 0.76 NR4A2 (0.67) SMN1; SMN2RAB9AMAPTNPC1MEN1
SCHEMBL3722135 0.75 ALDH1A1 (0.61) MAPTMEN1KMT2ALMNA
SCHEMBL7006163 0.75 DRD2 (0.73) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL399071 0.75 CFTR (0.74) GABRA1GABRB1GABRA5GABRA3GABRA2

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
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO disclosed
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO disclosed