SCHEMBL8580490

SCHEMBL8580490

Cc1c(Cn2ccnc2)c2ccccc2n1CC(CCNS(=O)(=O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CYP19A1 P11511 1/20 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
SCHEMBL8583185 0.82 TBXAS1 (0.62) TBXAS1PTGDR2
SCHEMBL8538416 0.76 TBXAS1 (0.88) TBXAS1PTGDR2
SCHEMBL8541115 0.75 TBXAS1 (0.65) TBXAS1ALDH1A1
SCHEMBL8583413 0.75 TBXAS1 (0.52) TBXAS1PTGDR2HDAC3HDAC4HDAC1
SCHEMBL8583165 0.74 TBXAS1 (0.59) TBXAS1PTGDR2
SCHEMBL8541550 0.73 TBXAS1 (0.78) TBXAS1ALDH1A1CYP19A1
SCHEMBL8543963 0.72 TBXAS1 (0.58) TBXAS1ALDH1A1CYP19A1
SCHEMBL8544076 0.72 TBXAS1 (1.00) TBXAS1PTGDR2
SCHEMBL10373940 0.71 TBXAS1 (0.63) TBXAS1PTGDR2ALDH1A1HDAC3HDAC4
SCHEMBL9814947 0.71 TBXAS1 (0.56) TBXAS1PTGDR2ALDH1A1HDAC3HDAC4

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
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US claimed