SCHEMBL7404753

SCHEMBL7404753

CCCCS(=O)(=O)Nc1ccc(C(=O)CBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.62
HPGD P15428 5/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
AR P10275 1/20 0.48
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
GSK3B P49841 3/20 0.45
NAMPT P43490 1/20 0.45
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.41
KIT P10721 2/20 0.41

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
SCHEMBL8632794 0.96 THRA (0.68) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL9136792 0.86 HPGD (0.63) THRAHPGDLMNASMN1; SMN2GSK3B
SCHEMBL8231736 0.83 THRA (0.59) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL9324567 0.82 THRA (0.58) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL9324564 0.82 THRA (0.58) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL9491401 0.82 THRA (0.58) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL6090805 0.81 HPGD (0.74) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL7399025 0.80 KMT2A (0.43) THRAGSK3BPTPN1
SCHEMBL11709119 0.79 HPGD (0.75) THRAHPGDLMNASMN1; SMN2AR
SCHEMBL16051464 0.79 THRA (0.65) THRAHPGDLMNASMN1; SMN2AR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
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