SCHEMBL14347169

SCHEMBL14347169

Cc1cc(Br)cc2nc(N)sc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
NQO2 P16083 2/20 0.40
NSD1 Q96L73 1/20 0.39
GAA P10253 2/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
BACE1 P56817 1/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
GFER P55789 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
SCHEMBL17115183 0.81 GAA (0.44) SMN1; SMN2ALDH1A1TP53HTTRAB9A
SCHEMBL10991202 0.81 SMN1; SMN2 (1.00) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL30944287 0.81 SMN1; SMN2 (1.00) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL219725 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL222470 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL18614481 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL19753611 0.75 NPC1 (0.47) SMN1; SMN2RAB9ANQO2GAAMAPK1
SCHEMBL24175979 0.75 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL1707911 0.74 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR
SCHEMBL13735781 0.71 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4ALDH1A1TP53TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed