SCHEMBL8540826

SCHEMBL8540826

COC(=O)CCn1c(C)c(Cn2ccnc2)c2c(CCNC(=O)OCc3ccccc3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.50
HRH4 Q9H3N8 1/20 0.41
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ADORA2B P29275 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.37
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 1/20 0.36
PLA2G2A P14555 1/20 0.36
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9023498 0.94 TBXAS1 (0.58) TBXAS1HRH4CTSSCTSKSMN1; SMN2
SCHEMBL8542596 0.85 TBXAS1 (0.61) TBXAS1PLA2G2A
SCHEMBL8539405 0.85 TBXAS1 (0.53) TBXAS1HRH4CTSSCTSKCYP19A1
SCHEMBL8581398 0.84 TBXAS1 (0.53) TBXAS1CYP19A1PLA2G2ATSHR
SCHEMBL8543963 0.79 TBXAS1 (0.58) TBXAS1SMN1; SMN2CYP19A1HTT
SCHEMBL9023777 0.79 TBXAS1 (0.61) TBXAS1HRH4CYP19A1PLA2G2APTGDR2
SCHEMBL8581448 0.77 TBXAS1 (0.56) TBXAS1CYP19A1PLA2G2ATSHR
SCHEMBL8544213 0.76 TBXAS1 (0.54) TBXAS1PLA2G2A
SCHEMBL8544216 0.76 TBXAS1 (0.54) TBXAS1PLA2G2A
SCHEMBL8541115 0.72 TBXAS1 (0.65) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
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 disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed