SCHEMBL4771853

SCHEMBL4771853

[CH2]c1ccccc1N(Br)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ AKR1C3 P42330 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30

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
SCHEMBL1939814 0.85 GAA (0.46) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL11083920 0.76 GAA (0.39) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL15513489 0.74 GAA (0.38) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL9360259 0.74 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL7114177 0.74 HSD17B10 (0.44) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL5167275 0.70 NPSR1 (0.46) SMN1; SMN2ALDH1A1TP53TSHRKMT2A
SCHEMBL7388059 0.68 ALDH1A1 (0.39) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL28875374 0.67 MAPT (0.37) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL10771938 0.66 TSHR (0.32) TSHR
SCHEMBL21513960 0.66 GAA (0.70) GAASMN1; SMN2ALDH1A1TP53MAPT

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
EP-1729795-A4 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES INC (US) 2008-05-21 — — EP disclosed
EP-1729795-A2 ALBUMIN FUSION PROTEINS Human Genome Sciences, Inc. (US) 2006-12-13 — — EP disclosed
WO-2005077042-A2 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. (US) 2005-08-25 — — WO disclosed
Send feedback