SCHEMBL14282997

SCHEMBL14282997

CC(C)(C)[Si](C)(C)OCc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 4/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 5/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSPB1 P04792 1/20 0.40
PDE7A Q13946 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TBXA2R P21731 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL30549649 0.78 LMNA (0.43) SMN1; SMN2LMNAGAAMAPTALDH1A1
SCHEMBL14282996 0.77 MAPT (0.39) SMN1; SMN2LMNAMAPTALDH1A1NPSR1
SCHEMBL22128468 0.76 ALDH1A1 (0.40) SMN1; SMN2LMNAGAAMAPTALDH1A1
SCHEMBL14282994 0.73 MAOB (0.47) SMN1; SMN2ALDH1A1HTT
SCHEMBL19405909 0.73 GPR35 (0.43) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL481257 0.73 IDO1 (0.50) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL18587538 0.73 MAPT (0.48) SMN1; SMN2LMNAMAPTALDH1A1NPSR1
SCHEMBL31320855 0.72 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1HPGDKMT2A
SCHEMBL22264774 0.72 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1HPGDKMT2A
SCHEMBL357298 0.72 ALDH1A1 (0.42) SMN1; SMN2LMNAGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 US disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 US disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 US disclosed