SCHEMBL7793885

SCHEMBL7793885

CS(=O)(=O)O.Cc1noc(C)c1S(=O)(=O)[C@@](N)(CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)NO1)C(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.46
▸ ITGA2B P08514 17/20 0.46
▸ ITGB2 P05107 2/20 0.33
▸ ITGAM P11215 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 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
SCHEMBL7790950 0.98 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL7441476 0.98 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL7790872 0.98 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL7790913 0.98 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL7446099 0.98 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL9095129 0.86 ITGB3 (0.35) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9093657 0.84 F2 (0.42) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL7790968 0.83 ITGB3 (0.46) ITGB3ITGA2BITGB2ITGAMHTR7
SCHEMBL9093620 0.83 F2 (0.37) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9093651 0.81 ITGB3 (0.39) ITGB3ITGA2BITGB2ITGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 — — EP disclosed
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