SCHEMBL8708279

SCHEMBL8708279

NOP(=O)(O)Cn1c(CCC(=O)O)nc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
PIN1 Q13526 1/20 0.41
THRB P10828 2/20 0.40
RECQL P46063 2/20 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
SCHEMBL499416 0.76 HDAC6 (0.54) KDM4EALDH1A1HDAC6PIN1
SCHEMBL9005993 0.73 KDM4E (0.42) KDM4EALDH1A1HDAC6
SCHEMBL499964 0.72 MEN1 (0.46) ALDH1A1
SCHEMBL1430689 0.72 MEN1 (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL4889627 0.71 MEN1 (0.45) ALDH1A1
Propionic Acid SCHEMBL25431974 0.68 BACE1 (0.51) TBXA2RKDM4EALDH1A1
SCHEMBL8708288 0.68 FBP1 (0.41) TBXA2RKDM4EALDH1A1GAAHDAC6
SCHEMBL5394795 0.65 TBXA2R (0.61) TBXA2RKDM4EALDH1A1
SCHEMBL499418 0.65 HDAC6 (0.46) TBXA2RHDAC6PIN1
SCHEMBL7885451 0.65 KMT2A (0.62) TBXA2RKDM4EALDH1A1

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