SCHEMBL8708288

SCHEMBL8708288

Nc1c(Cl)ccc2c1nc(CCC(=O)O)n2CP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.41
TBXA2R P21731 1/20 0.41
LMNA P02545 1/20 0.37
HDAC6 Q9UBN7 6/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP5 P45974 1/20 0.34
BRAP Q7Z569 1/20 0.34
USP16 Q9Y5T5 1/20 0.34
USP3 Q9Y6I4 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL499418 0.83 HDAC6 (0.46) TBXA2RLMNAHDAC6USP5BRAP
SCHEMBL8708279 0.68 TBXA2R (0.54) TBXA2RHDAC6KDM4EALDH1A1GAA
SCHEMBL499416 0.64 HDAC6 (0.54) LMNAHDAC6KDM4EALDH1A1
SCHEMBL1430689 0.60 MEN1 (0.46) ALDH1A1
SCHEMBL8779876 0.59
SCHEMBL21977323 0.58 PNP (0.54) TBXA2RLMNAALDH1A1
SCHEMBL5394795 0.57 TBXA2R (0.61) TBXA2RKDM4EALDH1A1
SCHEMBL23077757 0.57 SMN1; SMN2 (0.43) LMNAHDAC6ALDH1A1
SCHEMBL12102425 0.56 HDAC6 (0.66) TBXA2RHDAC6KDM4EALDH1A1GAA
SCHEMBL9753475 0.55 SMN1; SMN2 (0.43)

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-0879238-A1 BENZIMIDAZOLE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-25 EP disclosed
WO-1997025335-A1 BENZIMIDAZOLE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-07-17 WO disclosed