SCHEMBL13480591

SCHEMBL13480591

CCNC(=O)Nc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
HTT P42858 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
ANPEP P15144 1/20 0.54
CXCR1 P25024 2/20 0.51
MAPT P10636 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CXCR2 P25025 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
PDK1 Q15118 1/20 0.47

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
SCHEMBL19279096 0.85 GAA (0.51) GAAHTTKMT2AMEN1RAB9A
SCHEMBL13235126 0.82 HTT (0.81) GAAHTTKMT2AMEN1RAB9A
SCHEMBL1951110 0.80 GAA (0.61) GAAHTTKMT2AMEN1RAB9A
SCHEMBL11911371 0.80 ITGB3 (0.70) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL14295570 0.79 ALDH1A1 (0.73) GAAHTTKMT2AMEN1RAB9A
SCHEMBL27953196 0.79 CFD (0.67) GAAHTTKMT2AMEN1RAB9A
SCHEMBL4893345 0.79 HTT (0.58) GAAHTTKMT2AMEN1RAB9A
SCHEMBL10906283 0.79 HTT (0.69) GAAHTTKMT2AMEN1RAB9A
SCHEMBL15196083 0.79 GAA (0.59) GAARAB9ANPC1LMNAPOLB
SCHEMBL13480553 0.79 TAS1R3 (0.60) GAAHTTKMT2AMEN1RAB9A

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
CN-101952244-A PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist AMIRA PHARMACEUTICALS INC 2011-01-19 CN disclosed
US-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed