SCHEMBL16627094

SCHEMBL16627094

OC(=P)Cc1c(O)nc2ccccc2c1-c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
BIRC5 O15392 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CFTR P13569 1/20 0.38
KMT2A Q03164 2/20 0.36
MAPT P10636 5/20 0.36
APP P05067 1/20 0.36
DPP4 P27487 1/20 0.36
TSHR P16473 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL16624737 0.89 SMN1; SMN2 (0.55) SMN1; SMN2POLBABCG2LMNAALDH1A1
SCHEMBL16627093 0.87 MEN1 (0.43) SMN1; SMN2ABCG2LMNAALDH1A1KMT2A
SCHEMBL16624740 0.82 ALDH1A1 (0.49) SMN1; SMN2POLBLMNAALDH1A1KMT2A
SCHEMBL16627091 0.81 CYP1A2 (0.49) SMN1; SMN2ABCG2ABCB1LMNAALDH1A1
SCHEMBL29488289 0.77 ESR1 (0.56) SMN1; SMN2POLBABCG2ABCB1BIRC5
SCHEMBL602028 0.77 ESR1 (0.56) SMN1; SMN2POLBABCG2ABCB1BIRC5
SCHEMBL16627090 0.72 CYP1A2 (0.45) SMN1; SMN2ABCG2ABCB1LMNAALDH1A1
SCHEMBL16624738 0.72 L3MBTL1 (0.48) SMN1; SMN2POLBLMNAALDH1A1KMT2A
SCHEMBL16624714 0.71 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL25382436 0.71 ABCG2 (0.55) SMN1; SMN2POLBABCG2ABCB1BIRC5

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
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed