SCHEMBL7367256

SCHEMBL7367256

NC(N)(C(=O)O)[C@@H](C(=O)c1nnc(CCCCNC2=NCCN2)s1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
ITGB3 P05106 9/20 0.36
ITGAV P06756 9/20 0.36
ITGA2B P08514 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CXCR4 P61073 3/20 0.33
NPY5R Q15761 3/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL7367251 1.00 F2 (0.40) F2ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7374464 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BNPY5RAGTR1
SCHEMBL7374471 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BNPY5RAGTR1
SCHEMBL7366867 0.81 ITGB3 (0.42) F2ITGB3ITGAVITGA2BCXCR4
SCHEMBL7366861 0.81 ITGB3 (0.42) F2ITGB3ITGAVITGA2BCXCR4
SCHEMBL8168332 0.79 ITGB3 (0.56) F2ITGB3ITGAVITGA2B
SCHEMBL7377522 0.73 ITGB3 (0.36) F2ITGB3ITGAVITGA2BCXCR4
SCHEMBL7377515 0.73 ITGB3 (0.36) F2ITGB3ITGAVITGA2BCXCR4
SCHEMBL8218081 0.69 GLS (0.34) F2ITGB3ITGAVITGA2BCXCR4
SCHEMBL7374249 0.69 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO disclosed