SCHEMBL7521732

SCHEMBL7521732

CC=CC(=O)N(O)c1cc(Br)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
GAA P10253 1/20 0.31
NCEH1 Q6PIU2 1/20 0.30
HSD17B3 P37058 1/20 0.30
POLB P06746 2/20 0.30
CES2 O00748 1/20 0.30
GALR3 O60755 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL16167178 0.69 SIGMAR1 (0.41) MAPTALDH1A1LMNARAB9ARECQL
SCHEMBL22501857 0.66 MEN1 (0.48) MAPTALDH1A1CYP3A4LMNAGAA
SCHEMBL22501856 0.66 MEN1 (0.48) MAPTALDH1A1CYP3A4LMNAGAA
SCHEMBL9485990 0.64 CCR5 (0.42) ALDH1A1HSP90AA1TLR9SIGMAR1NCEH1
SCHEMBL30301274 0.64 CYP3A4 (0.70) ALDH1A1CYP3A4LMNAHPGD
SCHEMBL4654542 0.63 ALDH1A1 (0.39) ALDH1A1CYP3A4LMNAGAACYP1A2
SCHEMBL7749402 0.62 SMN1; SMN2 (0.50) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL7749404 0.62 SMN1; SMN2 (0.50) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL3663002 0.62 DGAT1 (0.38) MAPTALDH1A1LMNAHSP90AA1TLR9
SCHEMBL18719604 0.61 AAK1 (0.39) ALDH1A1LMNARAB9ARECQLNCEH1

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-1235567-A2 INHIBITORS OF COLLAGEN-INDUCED PLATELET AGGREGATION Parker Hughes Institute (US) 2002-09-04 EP disclosed
WO-2001041754-A9 INHIBITORS OF COLLAGEN-INDUCED PLATELET AGGREGATION PARKER HUGHES INST (US) 2002-08-01 WO disclosed
WO-2001041754-A2 INHIBITORS OF COLLAGEN-INDUCED PLATELET AGGREGATION PARKER HUGHES INSTITUTE (US) 2001-06-14 WO disclosed