SCHEMBL8543738

SCHEMBL8543738

COC(=O)CCc1[nH]c2cccc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.51
TBXA2R P21731 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL8543710 0.91 TBXAS1 (0.62) TBXAS1TBXA2RMEN1KMT2A
SCHEMBL8542531 0.86 TBXAS1 (0.50) TBXAS1SMN1; SMN2
SCHEMBL8538700 0.85 TBXAS1 (0.55) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL8538829 0.80 TBXAS1 (0.59) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL8541447 0.79 SMN1; SMN2 (0.37) TBXAS1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8544727 0.79 TBXAS1 (0.52) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL8541082 0.78 TBXAS1 (0.61) TBXAS1
SCHEMBL8543882 0.76 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL8541824 0.74 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL8538831 0.72 TBXAS1 (0.46) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A

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 claimed
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
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO claimed