SCHEMBL14282996

SCHEMBL14282996

CC(C)(C)[Si](C)(C)OCc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
IDO1 P14902 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 3/20 0.35
MAOB P27338 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4404861 0.79 IDO1 (0.57) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL26185832 0.78 MAOB (0.58) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL14282997 0.77 SMN1; SMN2 (0.48) MAPTLMNAMEN1KMT2APOLB
SCHEMBL22498332 0.77 HTT (0.38) LMNAMEN1KMT2AIDO1CA12
SCHEMBL2504040 0.76 ACP1 (0.36) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL22128468 0.75 ALDH1A1 (0.40) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL15522365 0.75 HTR2A (0.55) MAPTIDO1POLBALDH1A1MAOB
SCHEMBL17494979 0.73 ALDH1A1 (0.36) LMNAMEN1KMT2AIDO1POLB
SCHEMBL18538981 0.72 HTT (0.38) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL1879222 0.72 TSHR (0.50) MAPTLMNAMEN1KMT2ACA12

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