SCHEMBL13845844

SCHEMBL13845844

BN1CCCC(C(=O)Nc2ccccc2Br)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
CETP P11597 1/20 0.45

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
SCHEMBL13041576 0.80 MAPT (0.54) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL28669892 0.78 NPC1 (0.63) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3739365 0.77 PARP1 (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL13041440 0.76 EPHX2 (0.54) MAPTKMT2ANPC1SMN1; SMN2EPHX2
SCHEMBL4104057 0.74 EPHX2 (0.55) MAPTNPC1SMN1; SMN2EPHX2POLB
SCHEMBL18138936 0.73 POLB (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9965417 0.73 EPHX2 (0.57) MAPTKMT2ANPC1SMN1; SMN2EPHX2
SCHEMBL1768978 0.72 KMT2A (0.51) KMT2AMEN1NPC1ALDH1A1SMN1; SMN2
SCHEMBL10838945 0.72 SMN1; SMN2 (0.48) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL15528518 0.72 ALDH1A1 (0.67) NPC1ALDH1A1LMNAKDM4ECETP

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-2009061676-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed