SCHEMBL9448609

SCHEMBL9448609

NC(=O)c1cccc(NCCc2ccco2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR7 P34969 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
FYN P06241 1/20 0.43
POLB P06746 4/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9448358 0.86 MAPT (0.57) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL2583947 0.77 KMT2A (0.55) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL18893559 0.75 MEN1 (0.54) MEN1KMT2AHTR7PARP1PARP10
SCHEMBL3989669 0.74 L3MBTL1 (0.52) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL8686789 0.73 HTR7 (0.55) MEN1KMT2AHTR7HDAC1HDAC8
SCHEMBL8686770 0.73 HTR7 (0.55) MEN1KMT2AHTR7HDAC1HDAC8
SCHEMBL19710767 0.73 HTR7 (0.55) RAB9AGAALMNAMEN1KMT2A
SCHEMBL9448456 0.71 PARP1 (0.51) ALDH1A1MAPTMEN1KMT2AHTR7
SCHEMBL11935020 0.71 HTR7 (0.54) MEN1KMT2AHTR7HDAC1HDAC8
SCHEMBL461708 0.71 HTR7 (0.54) GAAMEN1KMT2AHTR7SMN1; SMN2

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
US-5215738-A Used for destroying hypoxic tumor cells SRI INTERNATIONAL (US) 1993-06-01 US disclosed