SCHEMBL4100177

SCHEMBL4100177

CCOC(=O)c1nc(NC(=O)c2nc3ccccc3[nH]2)cn1CI

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 4/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
KLF5 Q13887 1/20 0.39
CNR2 P34972 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL13845752 0.87 RPS6KA3 (0.46) MAPTKMT2AALDH1A1LMNANPC1
SCHEMBL4296230 0.74 HSD17B10 (0.61) MAPTKMT2AALDH1A1LMNANPC1
SCHEMBL3989046 0.73 FAAH (0.46) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9669651 0.69 RAB9A (0.58) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL9771942 0.68 MAPT (0.59) MAPTKMT2AALDH1A1LMNANPC1
SCHEMBL9052063 0.67 NPC1 (0.53) MAPTKMT2AALDH1A1LMNANPC1
SCHEMBL9669437 0.67 RAB9A (0.59) MAPTKMT2AALDH1A1LMNANPC1
SCHEMBL24450206 0.67 HDAC3 (0.58) MAPTLMNARAB9ASMN1; SMN2CNR2
SCHEMBL10143997 0.66 SMN1; SMN2 (0.53) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL9669468 0.66 NPC1 (0.54) MAPTKMT2AALDH1A1LMNANPC1

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-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed