SCHEMBL8543283

SCHEMBL8543283

COC(=O)CCn1cc(Cc2cccnc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.51
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR2 P34972 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40
NAMPT P43490 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
SCHEMBL8544039 0.85 TBXAS1 (0.52) TBXAS1KDM4ECNR2CNR1
SCHEMBL8542424 0.84 KMT2A (0.44) CYP19A1CYP11B1CYP11B2ATMMEN1
SCHEMBL8538149 0.83 HDAC4 (0.44) TBXAS1ALDH1A1MEN1KMT2ACNR2
SCHEMBL8538159 0.83 TBXAS1 (0.50) TBXAS1KDM4ECNR2CNR1
SCHEMBL8544402 0.83 TBXAS1 (0.56) TBXAS1
SCHEMBL8580528 0.81 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2KDM4ECNR2
SCHEMBL8544233 0.80 TBXAS1 (0.50) TBXAS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8544230 0.80 TBXAS1 (0.50) TBXAS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8544258 0.80 TBXAS1 (0.47) TBXAS1KDM4ECNR2CNR1
Trifluoroacetic Acid SCHEMBL9221603 0.79 TBXAS1 (0.55) 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 4 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
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed