SCHEMBL8887134

SCHEMBL8887134

COC(=O)c1ccc(NC(=O)N(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TSHR P16473 1/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL687878 0.84 TSHR (0.79) MEN1KMT2ATSHR
SCHEMBL8934937 0.81 TSHR (0.63) MEN1KMT2ATSHRALDH1A1
SCHEMBL15768278 0.80 MEN1 (0.57) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3931936 0.80 RAB9A (0.65) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3649965 0.79 TSHR (0.61) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL7088596 0.79 NPC1 (0.66) TSHRMAPTNPC1RAB9APOLB
SCHEMBL8660366 0.79 NPC1 (0.83) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL6263820 0.79 NPC1 (0.83) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL8886838 0.79 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9551946 0.79 MAPT (0.70) MEN1KMT2ATSHRMAPTALDH1A1

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
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed