SCHEMBL7401837

SCHEMBL7401837

CCCCS(=O)(=O)NCCc1ccc(C(=O)CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49
THRA P10827 8/20 0.47
THRB P10828 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
PLK1 P53350 1/20 0.41
GSK3B P49841 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7399025 0.86 KMT2A (0.43) TBXA2RTHRATHRBHAO1GSK3B
SCHEMBL7399274 0.85 TBXA2R (0.52) TBXA2RTBXAS1THRATHRBL3MBTL1
SCHEMBL11105772 0.80 RARB (0.57) TBXA2RTBXAS1L3MBTL1HAO1
SCHEMBL3011724 0.78 THRA (0.66) THRATHRBHAO1PLK1GSK3B
SCHEMBL7404753 0.78 THRA (0.62) THRAGSK3BLMNASMN1; SMN2
SCHEMBL6626226 0.77 MEN1 (0.61) TBXA2RTBXAS1L3MBTL1NPC1RAB9A
SCHEMBL638654 0.77 THRA (0.73) THRATHRBHAO1
SCHEMBL5187970 0.76 MEN1 (0.44) TBXA2RTBXAS1L3MBTL1NPC1RAB9A
SCHEMBL8984247 0.75 THRA (0.77) THRATHRBHAO1
SCHEMBL7736637 0.75 THRA (0.77) THRATHRBHAO1

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-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed